bluuebunny/crossref_metadata_2025 huggingface dataset:
Heterovalent-doping-enabled atom-displacement fluctuation leads to ultrahigh energy-storage density in AgNbO3-based multilayer capacitors
Authors: Zhu Li-Feng , Deng Shiqing , Zhao Lei , Li Gen , Wang Qi , Li Linhai , Yan Yongke , Qi He , Zhang Bo-Ping , Chen Jun , Li Jing-Feng
Published: March 2023

Dielectric capacitors with high energy storage performance are highly desired for next-generation advanced high/pulsed power capacitors that demand miniaturization and integration. However, the poor energy-storage density that results from the low breakdown strength, has been the major challenge for practical applications of dielectric capacitors. Herein, we propose a heterovalent-doping-enabled atom-displacement fluctuation strategy for the design of low-atom-displacements regions in the antiferroelectric matrix to achieve the increase in breakdown strength and enhancement of the energy-storage density for AgNbO3-based multilayer capacitors. An ultrahigh breakdown strength ~1450 kV·cm−1 is realized in the Sm0.05Ag0.85Nb0.7Ta0.3O3 multilayer capacitors, especially with an ultrahigh Urec ~14 J·cm−3, excellent η ~ 85% and PD,max ~ 102.84 MW·cm−3, manifesting a breakthrough in the comprehensive energy storage performance for lead-free antiferroelectric capacitors. This work offers a good paradigm for improving the energy storage properties of antiferroelectric multilayer capacitors to meet the demanding requirements of advanced energy storage applications.
Adaptive, problem-tailored variational quantum eigensolver mitigates rough parameter landscapes and barren plateaus
Authors: Grimsley Harper R. , Barron George S. , Barnes Edwin , Economou Sophia E. , Mayhall Nicholas J.
Published: March 2023

Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these methods, however, including barren plateaus and large numbers of local minima. In this work, we consider the Adaptive, Problem-Tailored Variational Quantum Eiegensolver (ADAPT-VQE) ansätze, and examine how they are impacted by these local minima. We find that while ADAPT-VQE does not remove local minima, the gradient-informed, one-operator-at-a-time circuit construction accomplishes two things: First, it provides an initialization strategy that can yield solutions with over an order of magnitude smaller error compared to random initialization, and which is applicable in situations where chemical intuition cannot help with initialization, i.e., when Hartree-Fock is a poor approximation to the ground state. Second, even if an ADAPT-VQE iteration converges to a local trap at one step, it can still “burrow” toward the exact solution by adding more operators, which preferentially deepens the occupied trap. This same mechanism helps highlight a surprising feature of ADAPT-VQE: It should not suffer optimization problems due to barren plateaus and random initialization. Even if such barren plateaus appear in the parameter landscape, our analysis suggests that ADAPT-VQE avoids such regions by design.
A 23,000-year-old southern Iberian individual links human groups that lived in Western Europe before and after the Last Glacial Maximum
Authors: Villalba-Mouco Vanessa , van de Loosdrecht Marieke S. , Rohrlach Adam B. , Fewlass Helen , Talamo Sahra , Yu He , Aron Franziska , Lalueza-Fox Carles , Cabello Lidia , Cantalejo Duarte Pedro , Ramos-Muñoz José , Posth Cosimo , Krause Johannes , Weniger Gerd-Christian , Haak Wolfgang
Published: March 2023

Human populations underwent range contractions during the Last Glacial Maximum (LGM) which had lasting and dramatic effects on their genetic variation. The genetic ancestry of individuals associated with the post-LGM Magdalenian technocomplex has been interpreted as being derived from groups associated with the pre-LGM Aurignacian. However, both these ancestries differ from that of central European individuals associated with the chronologically intermediate Gravettian. Thus, the genomic transition from pre- to post-LGM remains unclear also in western Europe, where we lack genomic data associated with the intermediate Solutrean, which spans the height of the LGM. Here we present genome-wide data from sites in Andalusia in southern Spain, including from a Solutrean-associated individual from Cueva del Malalmuerzo, directly dated to ~23,000 cal yr bp. The Malalmuerzo individual carried genetic ancestry that directly connects earlier Aurignacian-associated individuals with post-LGM Magdalenian-associated ancestry in western Europe. This scenario differs from Italy, where individuals associated with the transition from pre- and post-LGM carry different genetic ancestries. This suggests different dynamics in the proposed southern refugia of Ice Age Europe and posits Iberia as a potential refugium for western European pre-LGM ancestry. More, individuals from Cueva Ardales, which were thought to be of Palaeolithic origin, date younger than expected and, together with individuals from the Andalusian sites Caserones and Aguilillas, fall within the genetic variation of the Neolithic, Chalcolithic and Bronze Age individuals from southern Iberia.
Effects of the healthy lifestyle community program (cohort 1) on stress-eating and weight change after 8 weeks: a controlled study
Authors: Anand Corinna , Hengst Karin , Gellner Reinhold , Englert Heike
Published: March 2023

Stress-eating (eating more or more unhealthily in order to accommodate to stress), contributes to the development and maintenance of obesity. The effect of comprehensive weight loss interventions on changes in stress-eating as well as the contributing role of stress-eating on weight reduction has not been examined. The impact of the 8-week intensive phase of the Healthy Lifestyle Community Programme (HLCP, cohort 1) on emotional, external and restrained eating, as expressions of stress-eating was evaluated in a non-randomized controlled trial. Intervention: 14 seminars (twice per week, including practical units), complemented by stress-regulation and cooking workshops and coaching sessions empowering participants to change their behaviour towards a healthy plant-based diet (ad libitum), stress regulation, regular exercise and to focus on social support. Participants were recruited from the general population. In the intervention group, 91 participants (IG; age: 56 ± 10, 77% female) and in the control group, 52 (CG; age: 62 ± 14, 57% female) were enrolled. At baseline, participants of the IG reported higher levels of stress (9.7 ± 5.4 points [P] vs. 7.6 ± 6.2; p < 0.011), and of emotional eating (27.9 ± 9.4 vs. 20.0 ± 7.1; p < 0.001) and external eating (29.1 ± 4.9 vs. 25.5 ± 5.6; p < 0.001) than participants of the CG. Within 8 weeks, in the IG, scores of emotional eating (− 3.5 ± 5.4 P) and external eating significantly decreased (= − 2.0 ± 3.8 P), while restrained eating increased (2.7 ± 5.0 P; p for all < 0.001). Weight change was negatively correlated with change of external eating (R2 = 0.045; CC = − 0.285; p = 0.014), indicating that a greater weight change was associated with a smaller change of external eating. This is the first study to prospectively investigate the role of stress-eating on the weight reduction effect of comprehensive lifestyle interventions. Our data confirm that overweight is associated with EE and external eating and suggest that the HLCP is capable to reduce both, weight and stress-eating.

Trial registration:German Clinical Trials Register (DRKS; reference: DRKS00018821; September 18th 2019; retrospectively registered).
Sortilin knock-down alters the expression and distribution of cathepsin D and prosaposin and up-regulates the cation-dependent mannose-6-phosphate receptor in rat epididymal cells
Authors: Aguilera Andrea Carolina , Leiva Natalia , Alvarez Pablo Ariel , Pulcini Georgina , Pereyra Laura Lucía , Morales Carlos Ramón , Sosa Miguel Ángel , Carvelli Lorena
Published: March 2023

The selective transport to lysosomes can be mediated by either mannose-6-phosphate receptors (CD-MPR and CI-MPR) or sortilin. In mammalian epididymis, some lysosomal proteins are secreted into the lumen through unknown mechanisms. To investigate the underlying mechanisms of lysosomal protein transport in epididymal cells we studied the expression and distribution of cathepsin D (CatD) and prosaposin (PSAP) in a sortilin knocked down RCE-1 epididymal cell line (RCE-1 KD) in comparison with non-transfected RCE-1 cells. In RCE-1 cells, CatD was found in the perinuclear zone and co-localize with sortilin, whereas in RCE-1 KD cells, the expression, distribution and processing of the enzyme were altered. In turn, PSAP accumulated intracellularly upon sortilin knock-down and redistributed from LAMP-1-positive compartment to a perinuclear location, remaining co-localized with CatD. Interestingly, the sortilin knock-down induced CD-MPR overexpression and a redistribution of the receptor from the perinuclear zone to a dispersed cytoplasmic location, accompanied by an increased co-localization with CatD. The increase in CD-MPR could result from a compensatory response for the proper delivery of CatD to lysosomes in epididymal cells. The intracellular pathway taken by lysosomal proteins could be an approach for addressing further studies to understand the mechanism of exocytosis and therefore the role of these proteins in the epididymis.
Microbial community shift on artificial biological reef structures (ABRs) deployed in the South China Sea
Authors: Mohamed Hala F. , Abd-Elgawad Amro , Cai Rongshuo , Luo Zhaohe , Pie Lulu , Xu Changan
Published: March 2023

Many Artificial Reefs (ARs) have been used worldwide for marine habitat and coral reef restoration. However, the microbial community structure that colonize the ARs and their progressive development have been seldom investigated. In this study, the successive development of the microbial communities on environmentally friendly Artificial Biological Reef structures (ABRs)R made of special concrete supported with bioactive materials collected from marine algal sources were studied. Three seasons (spring, summer and autumn), three coral reef localities and control models (SCE) without bioactive material and (NCE) made of normal cement were compared. The structure of the microbial pattern exhibited successive shifts from the natural environment to the ABRs supported with bioactive materials (ABAM). Cyanobacteria, Proteobacteria, and Planctomycetota were shown to be the most three dominant phyla. Their relative abundances pointedly increased on ABAM and SCE models compared to the environment. Amplicon Sequence Variant (ASV) Richness and Shannon index were obviously higher on ABAM models and showed significant positive relationship with that of macrobenthos than those on the controls and the natural reef (XR). Our results offer successful establishment of healthy microbial films on the ABR surfaces enhanced the restoration of macrobenthic community in the damaged coral reefs which better understands the ecological role of the ABRs.
Verifying the accuracy of self-reported smoking behavior in female volunteer soldiers
Authors: Chan Wei-Hung , Lai Ching-Huang , Huang Shu-Jia , Huang Chung-Chi , Lai Chung-Yu , Liu Yi-Chun , Jiang Shiang-Huei , Li Shan-Ru , Tzeng Ya-Mei , Kao Senyeong , Chang Yu-Tien , Wu Chia-Chao , Kuo Chao-Yin , Hung Kuang-Chen , Chiu Yu-Lung
Published: March 2023

Smoking rates in the military are evaluated through questionnaire surveying. Because the accurate identification of smokers facilitates the provision of smoking cessation services, this study conducted urine cotinine concentration testing to verify the accuracy of self-reported smoking behavior by female volunteer soldiers and analyzed the effects of second-hand smoking on urine cotinine concentrations. This study is a cross-sectional study conducted using purposive sampling on female volunteer soldiers receiving training at the Taichung Recruit Training Center in May 2014. This study simultaneously collected questionnaires and urine samples, and urine samples were analyzed with an enzyme-linked immunosorbent assay. The self-reported smoking rate of female volunteer soldiers was 19.3%, whereas the smoking rate as determined by urine cotinine concentration testing was 26.3%, indicating an overall underestimation of 7.0%. Chi-square (χ2) goodness of fit test results indicated that the distribution of self-reported smoking behaviors and that verified from urine cotinine concentration testing were significantly different. The sensitivity of self-reported smoking behavior was 66.7% with a specificity of 97.6%. There was no significant association between second-hand smoking and urine cotinine concentrations. Questionnaire survey self-reporting methods could underestimate the smoking behavior of female volunteer soldiers and routine testing with biochemical verification is necessary.
Clinical validation of a contactless respiration rate monitor
Authors: Bujan Bartosz , Fischer Tobit , Dietz-Terjung Sarah , Bauerfeind Aribert , Jedrysiak Piotr , Große Sundrup Martina , Hamann Janne , Schöbel Christoph
Published: March 2023

Respiratory rate (RR) is an often underestimated and underreported vital sign with tremendous clinical value. As a predictor of cardiopulmonary arrest, chronic obstructive pulmonary disease (COPD) exacerbation or indicator of health state for example in COVID-19 patients, respiratory rate could be especially valuable in remote long-term patient monitoring, which is challenging to implement. Contactless devices for home use aim to overcome these challenges. In this study, the contactless Sleepiz One+ respiration monitor for home use during sleep was validated against the thoracic effort belt. The agreement of instantaneous breathing rate and breathing rate statistics between the Sleepiz One+ device and the thoracic effort belt was initially evaluated during a 20-min sleep window under controlled conditions (no body movement) on a cohort of 19 participants and secondly in a more natural setting (uncontrolled for body movement) during a whole night on a cohort of 139 participants. Excellent agreement was shown for instantaneous breathing rate to be within 3 breaths per minute (Brpm) compared to thoracic effort band with an accuracy of 100% and mean absolute error (MAE) of 0.39 Brpm for the setting controlled for movement, and an accuracy of 99.5% with a MAE of 0.48 Brpm for the whole night measurement, respectively. Excellent agreement was also achieved for the respiratory rate statistics over the whole night with absolute errors of 0.43, 0.39 and 0.67 Brpm for the 10th, 50th and 90th percentiles, respectively. Based on these results we conclude that the Sleepiz One+ can estimate instantaneous respiratory rate and its summary statistics at high accuracy in a clinical setting. Further studies are required to evaluate the performance in the home environment, however, it is expected that the performance is at similar level, as the measurement conditions for the Sleepiz One+ device are better at home than in a clinical setting.
Development and validation of nomograms predicting overall and cancer-specific survival for non-metastatic primary malignant bone tumor of spine patients
Authors: Shao Yiming , Wang Zhonghao , Shi Xiaoya , Wang Yexin
Published: March 2023

At present, no study has established a survival prediction model for non-metastatic primary malignant bone tumors of the spine (PMBS) patients. The clinical features and prognostic limitations of PMBS patients still require further exploration. Data on patients with non-metastatic PBMS from 2004 to 2015 were extracted from the Surveillance, Epidemiology, and End Results (SEER) database. Multivariate regression analysis using Cox, Best-subset and Lasso regression methods was performed to identify the best combination of independent predictors. Then two nomograms were structured based on these factors for overall survival (OS) and cancer-specific survival (CSS). The accuracy and applicability of the nomograms were assessed by area under the curve (AUC) values, calibration curves and decision curve analysis (DCA). Results: The C-index indicated that the nomograms of OS (C‐index 0.753) and CSS (C‐index 0.812) had good discriminative power. The calibration curve displays a great match between the model’s predictions and actual observations. DCA curves show our models for OS (range: 0.09–0.741) and CSS (range: 0.075–0.580) have clinical value within a specific threshold probability range compared with the two extreme cases. Two nomograms and web-based survival calculators based on established clinical characteristics was developed for OS and CSS. These can provide a reference for clinicians to formulate treatment plans for patients.
Influence of inflow directions and setting angle of inlet guide vane on hydraulic performance of an axial-flow pump
Authors: Nguyen Duc-Anh , Ma Sang-Bum , Kim Sung , Kim Jin-Hyuk
Published: March 2023

Inlet flow direction significantly affects the hydraulic performance of an axial-flow pump. Usually, the research papers ignore this phenomenon, resulting in discrepancies between simulation and experimental results. This study examines the influence of inflow direction in five cases (0%, 5%, 10%, 15%, and 30% pre-swirl intensities) to determine the relationship between the pre-swirl intensity and the hydraulic performance of the axial-flow pump. Based on this, changing the setting angle of the inlet guide vane (IGV) is proposed and thoroughly investigated to reduce the effect of inflow direction. In this study, the influence of clearances in IGV blades on hydraulic performance is also investigated in detail. Numerical simulations are performed using ANSYS–CFX and a shear stress transport reattachment modification (SST k-$$\omega$$ω) turbulence model with small y+ values at all walls. Specifically, the hydraulic performance curves and internal flow characteristics, including contours and streamlines, are assessed and analyzed. The inflow direction significantly impacts the hydraulic efficiency of the axial-flow pump. Increased pre-swirl intensity causes more loss in the IGV passage. The internal flow field and performance are not affected by the clearance at the hub and shroud of the IGV. However, the tip clearance of the impeller causes a decrease in hydraulic efficiency due to the tip leakage vortex. By adjusting the setting angle of the IGV, the efficiency and head gradually increase from a negative to a positive setting angle. Additionally, 30° is considered the critical setting angle for IGV.
Effect of long-term antihypertensive treatment on cerebrovascular structure and function in hypertensive rats
Authors: Naessens Daphne M. P. , de Vos Judith , Richard Edo , Wilhelmus Micha M. M. , Jongenelen Cornelis A. M. , Scholl Edwin R. , van der Wel Nicole N. , Heijst Johannes A. , Teunissen Charlotte E. , Strijkers Gustav J. , Coolen Bram F. , VanBavel Ed , Bakker Erik N. T. P.
Published: March 2023

Midlife hypertension is an important risk factor for cognitive impairment and dementia, including Alzheimer’s disease. We investigated the effects of long-term treatment with two classes of antihypertensive drugs to determine whether diverging mechanisms of blood pressure lowering impact the brain differently. Spontaneously hypertensive rats (SHR) were either left untreated or treated with a calcium channel blocker (amlodipine) or beta blocker (atenolol) until one year of age. The normotensive Wistar Kyoto rat (WKY) was used as a reference group. Both drugs lowered blood pressure equally, while only atenolol decreased heart rate. Cerebrovascular resistance was increased in SHR, which was prevented by amlodipine but not atenolol. SHR showed a larger carotid artery diameter with impaired pulsatility, which was prevented by atenolol. Cerebral arteries demonstrated inward remodelling, stiffening and endothelial dysfunction in SHR. Both treatments similarly improved these parameters. MRI revealed that SHR have smaller brains with enlarged ventricles. In addition, neurofilament light levels were increased in cerebrospinal fluid of SHR. However, neither treatment affected these parameters. In conclusion, amlodipine and atenolol both lower blood pressure, but elicit a different hemodynamic profile. Both medications improve cerebral artery structure and function, but neither drug prevented indices of brain damage in this model of hypertension.
Different correlation of body mass index with body fatness and obesity-related biomarker according to age, sex and race-ethnicity
Authors: Jeong Su-Min , Lee Dong Hoon , Rezende Leandro F. M. , Giovannucci Edward L.
Published: March 2023

The relationship between body mass index (BMI) and body fatness could differ according to age, sex, and race-ethnicity. We aimed to evaluate in which contexts BMI could be a good measure for body fatness compared to dual-energy X-ray absorptiometry (DXA) derived measures. The study population included 18,061 participants (9141 men and 8920 women) aged 18 and older who tested DXA from the National Health and Nutrition Examination Survey (NHANES) database from 1999 to 2006, and 8107 men and 10,754 women with DXA data from Korea NHANES from 2008 to 2011 to represent the Asian population. We calculated Pearson correlation coefficients between BMI and DXA derived fat mass index (FMI) and percentage body fat (PBF) depending on age, sex, and race-ethnicity. The correlation between BMI, FMI and PBF and obesity-related biomarkers was also estimated among the subgroup with both DXA and information on each biomarker. BMI was strongly correlated with FMI (r = 0.944 in men and 0.976 in women), PBF (r = 0.735 in men and 0.799 in women), and truncal fat mass (r = 0.914 in men and 0.941 in women) with correlations stronger in women than in men except for with waist-height ratio (r = 0.921 in men and 0.911 in women). The correlation between BMI and DXA derived adiposity weakened with age in both sexes. BMI was less correlated with FMI (r = 0.840 in men and 0.912 in women), PBF (r = 0.645 in men and 0.681 in women), and truncal fat mass (r = 0.836 in men and 0.884 in women) in Korean compared to other race-ethnicities. Among obesity-related biomarkers, insulin was the most strongly correlated to body adiposity indices in both sexes and strength of these correlations generally decreased with age. BMI predicted obesity-related biomarkers as well as FMI and truncal fat mass and superior to PBF. BMI could be a good measure for body fatness, particularly among young age groups, women, the US population, but less so in Korean populations. The lower correlation between BMI and body fatness in older compared to younger age groups could be related to increasing PBF and decreasing lean body mass.
Decreased coherence in the model of the dorsal visual pathway associated with Alzheimer’s disease
Authors: Yan SiLu , Yang XiaoLi , Yang Hao , Sun ZhongKui
Published: March 2023

Decreased coherence in electroencephalogram (EEG) has been reported in Alzheimer’s disease (AD) experimentally, which could be considered as a typical electrophysiological characteristic in AD. This work aimed to investigate the effect of AD on coherence in the dorsal visual pathway by the technique of neurocomputation. Firstly, according to the hierarchical organization of the cerebral cortex and the information flows of the dorsal visual pathway, a more physiologically plausible neural mass model including cortical areas v1, v2, and v5 was established in the dorsal visual pathway. The three interconnected cortical areas were connected by ascending and descending projections. Next, the pathological condition of loss of long synaptic projections in AD was simulated by reducing the parameters of long synaptic projections in the model. Then, the loss of long synaptic projections on coherence among different visual cortex areas was explored by means of power spectral analysis and coherence function. The results demonstrate that the coherence between these interconnected cortical areas showed an obvious decline with the gradual decrease of long synaptic projections, i.e. decrease in descending projections from area v2 to v1 and v5 to v2 and ascending projection from area v2 to v5. Hopefully, the results of this study could provide theoretical guidance for understanding the dynamical mechanism of AD.
Sensory modality defines the relation between EEG Lempel–Ziv diversity and meaningfulness of a stimulus
Authors: Orłowski Paweł , Bola Michał
Published: March 2023

Diversity of brain activity is a robust neural correlate of global states of consciousness. It has been proposed that diversity measures specifically reflect the temporal variability of conscious experience. Previous studies supported this hypothesis by showing that perception of meaningful visual stimuli causes richer, more-variable experiences than perception of meaningless stimuli, and this is reflected in greater brain signal diversity. To investigate whether this relation is consistent across sensory modalities, to participants we presented three versions of naturalistic visual and auditory stimuli (videos and audiobooks) that varied in the amount of meaning (original, scrambled, and noise), while recording electroencephalographic signals. We report three main findings. First, greater meaningfulness of visual stimuli was related to higher Lempel–Ziv diversity of EEG signals, but the opposite effect was found in the auditory modality. Second, visual perception was related to generally higher EEG diversity than auditory perception. Third, perception of meaningful visual stimuli and auditory stimuli respectively resulted in higher and lower EEG diversity in comparison to the resting state. In conclusion, the signal diversity of continuous brain signals depends on the stimulated sensory modality, therefore it is not a generic index of the variability of conscious experience.
ANKLE1 cleaves mitochondrial DNA and contributes to cancer risk by promoting apoptosis resistance and metabolic dysregulation
Authors: Przanowski Piotr , Przanowska Róża K. , Guertin Michael J.
Published: March 2023

Alleles within the chr19p13.1 locus are associated with increased risk of both ovarian and breast cancer and increased expression of the ANKLE1 gene. ANKLE1 is molecularly characterized as an endonuclease that efficiently cuts branched DNA and shuttles between the nucleus and cytoplasm. However, the role of ANKLE1 in mammalian development and homeostasis remains unknown. In normal development ANKLE1 expression is limited to the erythroblast lineage and we found that ANKLE1’s role is to cleave the mitochondrial genome during erythropoiesis. We show that ectopic expression of ANKLE1 in breast epithelial-derived cells leads to genome instability and mitochondrial DNA (mtDNA) cleavage. mtDNA degradation then leads to mitophagy and causes a shift from oxidative phosphorylation to glycolysis (Warburg effect). Moreover, mtDNA degradation activates STAT1 and expression of epithelial-mesenchymal transition (EMT) genes. Reduction in mitochondrial content contributes to apoptosis resistance, which may allow precancerous cells to avoid apoptotic checkpoints and proliferate. These findings provide evidence that ANKLE1 is the causal cancer susceptibility gene in the chr19p13.1 locus and describe mechanisms by which higher ANKLE1 expression promotes cancer risk.
Microwave-assisted synthesis of metal-organic chalcogenolate assemblies as electrocatalysts for syngas production
Authors: Rabl Hannah , Myakala Stephen Nagaraju , Rath Jakob , Fickl Bernhard , Schubert Jasmin S. , Apaydin Dogukan H. , Eder Dominik
Published: March 2023

Today, many essential industrial processes depend on syngas. Due to a high energy demand and overall cost as well as a dependence on natural gas as its precursor, alternative routes to produce this valuable mixture of hydrogen and carbon monoxide are urgently needed. Electrochemical syngas production via two competing processes, namely carbon dioxide (CO2) reduction and hydrogen (H2) evolution, is a promising method. Often, noble metal catalysts such as gold or silver are used, but those metals are costly and have limited availability. Here, we show that metal-organic chalcogenolate assemblies (MOCHAs) combine several properties of successful electrocatalysts. We report a scalable microwave-assisted synthesis method for highly crystalline MOCHAs ([AgXPh]∞: X = Se, S) with high yields. The morphology, crystallinity, chemical and structural stability are thoroughly studied. We investigate tuneable syngas production via electrocatalytic CO2reduction and find the MOCHAs show a maximum Faraday efficiency (FE) of 55 and 45% for the production of carbon monoxide and hydrogen, respectively.
Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase
Authors: Chen Yebao , Wang Yongjin , Xu Yang , Sun Jiaojiao , Yang Liu , Feng Chenhao , Wang Jia , Zhou Yang , Zhang Zhi-Min , Wang Yonghua
Published: March 2023

Phthalate acid esters (PAEs), a group of xenobiotic compounds used extensively as plasticizers, have attracted increasing concern for adverse effects to human health and the environment. Microbial degradation relying on PAE hydrolases is a promising treatment. However, only a limited number of PAE hydrolases were characterized to date. Here we report the structures of MehpH, a monoalkyl phthalate (MBP) hydrolase that catalyzes the reaction of MBP to phthalic acid and the corresponding alcohol, in apo and ligand-bound form. The structures reveal a positively-charged catalytic center, complementary to the negatively-charged carboxyl group on MBP, and a penetrating tunnel that serves as exit of alcohol. The study provides a first glimpse into the enzyme-substrate binding model for PAE hydrolases, leading strong support to the development of better enzymes in the future.
Inverse Hamiltonian design by automatic differentiation
Authors: Inui Koji , Motome Yukitoshi
Published: March 2023

An ultimate goal of materials science is to deliver materials with desired properties at will. Solving the inverse problem to obtain an appropriate Hamiltonian directly from the desired properties has the potential to reach qualitatively new principles, but most research to date has been limited to quantitative determination of parameters within known models. Here, we develop a general framework that can automatically design a Hamiltonian with desired physical properties by using automatic differentiation. In the application to the quantum anomalous Hall effect, our framework can not only construct the Haldane model automatically but also generate Hamiltonians that exhibit a six-times larger anomalous Hall effect. In addition, the application to the photovoltaic effect gives an optimal Hamiltonian for electrons moving on a noncoplanar spin texture, which can generate ~ 700 Am−2 under solar radiation. This framework would accelerate materials exploration by automatic construction of models and principles.
Nematic fluctuations in an orbital selective superconductor Fe1+yTe1−xSex
Authors: Jiang Qianni , Shi Yue , Christensen Morten H. , Sanchez Joshua J. , Huang Bevin , Lin Zhong , Liu Zhaoyu , Malinowski Paul , Xu Xiaodong , Fernandes Rafael M. , Chu Jiun-Haw
Published: March 2023

Fe1+yTe1−xSex is characterized by its complex magnetic phase diagram and highly orbital-dependent band renormalization. Despite this, the behavior of nematicity and nematic fluctuations, especially for high tellurium concentrations, remains largely unknown. Here we present a study of both B1g and B2g nematic fluctuations in Fe1+yTe1−xSex (0 ≤ x ≤ 0.53) using the technique of elastoresistivity measurement. We discovered that the nematic fluctuations in two symmetry channels are closely linked to the corresponding spin fluctuations, confirming the intertwined nature of these two degrees of freedom. We also revealed an unusual temperature dependence of the nematic susceptibility, which we attributed to a loss of coherence of the dxy orbital. Our results highlight the importance of orbital differentiation on the nematic properties of iron-based materials.
Dolostone as a reliable tracer of seawater lithium isotope composition
Authors: Liu Xiao-Feng , Liu Xiao-Ming , Wang Xi-Kai , Zhai Shikui , Liu Xinyu
Published: March 2023

The lithium isotope composition (δ7Li) of seawater records important information on the evolution of the carbon and silicon cycles over geologic time. Here we report δ7Li values in a suite of Neogene dolostones (23–3.4 Ma, n = 39) from the South China Sea. Over the Neogene, dolostone δ7Li values have increased from 24.9‰ to 30.1‰, overlapping previously published foraminifera records and documenting seawater δ7Li without applying any isotopic fractionation factor correction. Our results suggest that fabric-retentive dolostones are good proxies for providing seawater δ7Li records even after early diagenesis. Importantly, these results provide a high-resolution dolostone record rather than a foraminifera record to confirm the observed ~5‰ increase in Neogene seawater δ7Li. We predict that early marine diagenetic dolostones with fabric textures abundant in the Proterozoic may record changes in seawater δ7Li and continental weathering, providing great insights into the Precambrian global carbon cycle.
Alanine aminotransferase assay biosensor platform using silicon nanowire field effect transistors
Authors: Muratore Katherine A. , Zhou Dan , Du Jiangang J. , Chlystek John S. , Motesadi Kasra , Larsen Erik K. , Molgora Brenda M. , Lee Tetz C. , Pamarti Sudhakar , Erramilli Shyamsunder , Mohanty Pritiraj
Published: March 2023

Frequent monitoring of serum alanine aminotransferase (ALT) activity is essential to prevent drug-induced liver injury (DILI). Current ALT assays are restricted to centralized clinical laboratories, making frequent patient monitoring logistically difficult. To address this, we demonstrated the capability of commercial foundry manufactured silicon nanowire field effect transistor (SiNW-FET) biosensors in a form factor that enables frequent near-patient monitoring. Here, we designed an ALT assay, by coupling the ALT-catalyzed production of pyruvate to the reduction of ferricyanide, enabling both spectrophotometric and electrical measurement of ALT activity. The two methods yield comparable ALT activity detection across a dynamic range wide enough to monitor patients at risk for DILI. This study demonstrates kinetic activity measurement of an endogenous enzyme using uncoupled SiNW-FETs, and commercial manufacturing of SiNW-FET sensor arrays for use in a portable biosensor platform.
Water chestnut starch: extraction, chemical composition, properties, modifications, and application concerns
Authors: Kaur Kamalpreet , Kaur Gurpreet , Singh Ajay
Published: March 2023

The increase in non-biodegradable waste has prompted research on the development of new biodegradable compounds that can act as substitutes for the prevalent synthetic materials used for packaging.
Siderophore conjugates to combat antibiotic-resistant bacteria
Authors: Rayner Beth , Verderosa Anthony D. , Ferro Vito , Blaskovich Mark A. T.
Published: March 2023

Antimicrobial resistance (AMR) is a global threat to society due to the increasing emergence of multi-drug resistant bacteria that are not susceptible to our last line of defence antibiotics: new approaches are needed to fight back.
Water harvesting properties of a zwitterionic metal–organic framework
Authors: VanLeuven Charlene C. , Varghese Juby R. , Joy Monu , Dix Fletcher B. , Duell Kyle , Hartman Donald , Wriedt Mario
Published: March 2023

A nanoporous zwitterionic metal–organic framework is accessed for its atmospheric water harvesting properties due to its strong Lewis acidity and water stability. Findings show high cycling output and unique hydrochromic behavior.
What is special about Y6; the working mechanism of neat Y6 organic solar cells
Authors: Sağlamkaya Elifnaz , Musiienko Artem , Shadabroo Mohammad Saeed , Sun Bowen , Chandrabose Sreelakshmi , Shargaieva Oleksandra , Lo Gerfo M. Giulia , van Hulst Niek F. , Shoaee Safa
Published: March 2023

Morphological modification by DIO additive facilitates charge generation in the bulk of Y6, suppresses the bimolecular recombination, which results in an increased JSC and FF of single component Y6 solar cells.
Hierarchical BiOCl flowerlike microspheres via a room-temperature solid-state chemical reaction as a new anode for rechargeable magnesium-ion batteries
Authors: Zhu Caixia , Tang Yakun , Liu Lang , Bai Xiang , Xu Youyuan , Nuli Yana , Wang Jiulin
Published: March 2023

BiOCl flowerlike microspheres exhibit a favorable cycling performance ascribed to their unique structure. The reaction mechanism of BiOCl contains two steps involving a conversion reaction of BiOCl to Bi as well as the alloying reaction of Bi to Mg3Bi2.
Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity
Authors: Mishra Atreyee , Djoko Karrera Y. , Lee Yi-Hsuan , Lord Rianne M. , Kaul Grace , Akhir Abdul , Saxena Deepanshi , Chopra Sidharth , Walton James W.
Published: March 2023

Novel PEGylated copper pyrithione complexes show high bioactivity in anticancer and antibacterial assays, with enhanced aqueous solubility.
Low temperature molten salt synthesis of noncentrosymmetric (NH4)3SbF3(NO3)3and centrosymmetric (NH4)3SbF4(NO3)2
Authors: Wang Qin , Ren Jinxuan , Wang Dan , Cao Liling , Dong Xuehua , Huang Ling , Gao Daojiang , Zou Guohong
Published: March 2023

Two antimony nitrates were synthesized by the low temperature molten salt method. Both of them reveal large birefringence; especially, noncentrosymmetric (NH4)3SbF3(NO3)3exhibits a strong SHG coefficient of about 3.3×KDP.
Exploring multifunctional applications of a luminescent covalent triazine polymer in acid vapour sensing, CO2 capture, dye removal, and turn-off fluorescence sensing of dichromate ions
Authors: Chakraborty Argha , Sarkar Sayantan , Nag Probal , Ranjan Rishi , Vennapusa Sivaranjana Reddy , Mukhopadhyay Suman
Published: March 2023

SMCOP-2, a single multifunctional material, can resolve environmental issues of deep concern in order to create a better world.
Dual S-scheme ZnO–g-C3N4–CuO heterosystem: a potential photocatalyst for H2 evolution and wastewater treatment
Authors: Ahmad Irshad , Shukrullah Shazia , Naz Muhammad Yasin , Bhatti Haq Nawaz
Published: March 2023

A ZnO–g-C3N4–CuO catalyst prepared by an ecofriendly solution combustion process is used for H2 evolution. The mechanism of H2 evolution over ZnO–g-C3N4–CuO is described under visible light illumination.
High-quality single-walled carbon nanotube films as current collectors for flexible supercapacitors
Authors: Zhu Sheng , Zhang Zeyao , Sheng Jian , Jia Guodong , Ni Jiangfeng , Li Yan
Published: March 2023

High-quality single-walled carbon nanotube films are promising current collectors for flexible supercapacitors.
Recent development and emerging applications of robust biomimetic superhydrophobic wood
Authors: Li Xiaojun , Gao Likun , Wang Min , Lv Dong , He Peiyao , Xie Yanjun , Zhan Xianxu , Li Jian , Lin Zhiqun
Published: March 2023

Schematic illustration for the development and emerging applications of biomimetic superhydrophobic wood, including a variety of preparation strategies, durability tests, and representative emerging applications.
Alloying promotion of Pd-based metallenes in electrocatalytic hydrogenation of functionalized nitroarenes
Authors: Zhang Wenbiao , Zhang Wanling , Tan Jingwen , Pan Di , Tang Yi , Gao Qingsheng
Published: March 2023

Pd–M (M = Cr, Mo, and W) metallenes are for the first time introduced as efficient electrocatalysts for the ECH of nitroarenes, in which the alloying promotion can be intrinsically ascribed to the boosted chemisorption/activation of a nitro group.
Argentometric chloride determination by inductively coupled plasma-optical emission spectroscopy in a wide range of sample matrices
Authors: Lerner Nadav , Avraham Hanan , Leffler Nitai , Weinstock Ira A. , Zeiri Offer
Published: March 2023

An argentometric method has been developed, allowing sensitive chloride determination in a wide variety of matrices using any ICP-OES instrument.
Solvent-assisted dispersive micro-solid phase extraction of bisphenols using iron(iii) thenoyltrifluoroacetonate complex (Fe(TTA)3) as a new nanostructured sorbent: a proof of concept
Authors: Gemuh Celestine Vubangsi , Bezrouk Aleš , Pérez Rocío , Ayala Caitlan , Solich Petr , Horstkotte Burkhard
Published: March 2023

Iron(iii) thenoyltrifluoroacetonate (Fe(TTA))3 was used as a mobile-phase soluble and nanostructured sorbent for solvent-assisted dispersive solid phase extraction for the enrichment of bisphenols from surface waters prior to HPLC analysis.
Pickering emulsions stabilized by Chlorella pyrenoidosa protein–chitosan complex for lutein encapsulation
Authors: Ni Jialu , Wang Kuiyou , Yu Deyang , Tan Mingqian
Published: March 2023

Preparation of Chlorella pyrenoidosa protein (CP)–chitosan (CS) complex stabilized Pickering emulsions for lutein encapsulation.
Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties
Authors: Wang Ning , Feng Hui-Wei , Hao Xinhui , Cao Yang , Xu Xing-Dong , Feng Shengyu
Published: March 2023

Compared with single cross-linked elastomers, dual cross-linked elastomers based on dynamic covalent and metal coordination bonds exhibit significantly improved mechanical and fluorescence properties.
Metal-free catalytic conversion of CO2into methanol: local electrophilicity as a tunable property in the design and performance of aniline-derived aminoborane-based FLPs
Authors: Barrales-Martínez César , Durán Rocío , Jaque Pablo
Published: March 2023

A deeper computational mechanistic study of an environmentally friendly metal-free CO2reduction process towards MeOH is presented, using a previously tested intramolecular frustrated Lewis pair (2-[bis(R)boryl]-N,N-dimethylaniline) as catalyst and H2as reducing agent.
Playing with the cavity size of exTTF-based self-assembled cages
Authors: Dekhtiarenko Maksym , Szalóki György , Croué Vincent , Bou Zeid Jennifer , Canevet David , Allain Magali , Carré Vincent , Aubriet Frédéric , Voitenko Zoia , Sallé Marc , Goeb Sébastien
Published: March 2023

The binding properties of electron-rich M4L2 metallacages with different cavity sizes, constructed through coordination-driven self-assembly of extended tetrathiafulvalene (exTTF)-based ligands, are evaluated and show a high size selectivity for different guest molecules.
Stereoselective synthesis of CF3-containing spirocyclic-oxindoles using N-2,2,2-trifluoroethylisatin ketimines: an update
Authors: Borah Biplob , Veeranagaiah Naveena S. , Sharma Samrita , Patat Mihir , Prasad Madavi S. , Pallepogu Raghavaiah , Chowhan L. Raju
Published: March 2023

Recent updates on the synthesis of CF3-containing spirocyclic-oxindoles by employing N-2,2,2-trifluoroethylisatin ketimines are described in this review article.
Copper-catalyzed selective C5-H bromination and difluoromethylation of 8-aminoquinoline amides using ethyl bromodifluoroacetate as the bifunctional reagent
Authors: Shao Changdong , Xu Tianyi , Chen Chen , Yang Qionglin , Tang Chao , Chen Ping , Lu Mingzhu , Hu Zhengsong , Hu Huayou , Zhang Tingting
Published: March 2023

A simple and efficient method for the copper-catalyzed selective C5-H bromination and difluoromethylation of 8-aminoquinoline amides using ethyl bromodifluoroacetate as the bifunctional reagent.
Confined directional drying of a colloidal dispersion: kinetic modeling
Authors: Pingulkar Hrishikesh , Salmon Jean-Baptiste
Published: March 2023

Kinetic model of confined directional drying of a colloidal dispersion: taking into account the Kelvin effect and the possible recession of the evaporation surface.
Open system synthesis of narrow-bandwidth red-fluorescent carbon quantum dots with a function of multi-metal ion sensing
Authors: Katakami Rika , Sato Kohei , Ogura Akihiro , Takao Ken-ichi , Iso Yoshiki , Isobe Tetsuhiko
Published: March 2023

DAR-derived carbon quantum dots (CQDs) in ethanol exhibited narrow-bandwidth red photoluminescence that was comparable to that of blue-fluorescent PG-derived-CQDs.
Expanding the genetic code: a non-natural amino acid story
Authors: Zitti Athena , Jones Dafydd
Published: March 2023

From enzymes to hormones, proteins are the most versatile macromolecules that serve a vital function throughout all biological systems. In nature, organisms are restricted to a 20 amino acid repertoire, which in turn limits the chemistry. Nature evolves and adapts but currently does so under a “chemistry-limited” circumstance. This in turn has limited the aspirations of protein designers and engineers that aim to expand the functional and structural properties of proteins into new and exciting realms. One way nature has circumvented this problem is to recruit non-proteinaceous cofactors. Another way is to change one of the most fundamental concepts underlying biology: the genetic code. Pyrrolysine and selenocysteine are the two main genetically encodable proteinogenic “21st” amino acids; stop codons are recruited to encode the incorporation during ribosomal polypeptide synthesis. This ability of nature to go beyond the standard 20 amino acid repertoire inspired researchers to engineer the fundamental elements of ribosomal polypeptide synthesis and allow full genetic encoding of non-natural amino acids. This in turn helped advance synthetic biology and protein engineering in ways that were not possible by using the standard 20 amino acids. To this day, a vast repertoire of non-natural amino acids is available and is continuously expanding with increasing scientific needs.
The double sides of NLRP3 inflammasome activation in sepsis
Authors: Vigneron Clara , Py Bénédicte F. , Monneret Guillaume , Venet Fabienne
Published: March 2023

Sepsis is defined as a life-threatening organ dysfunction induced by a dysregulated host immune response to infection. Immune response induced by sepsis is complex and dynamic. It is schematically described as an early dysregulated systemic inflammatory response leading to organ failures and early deaths, followed by the development of persistent immune alterations affecting both the innate and adaptive immune responses associated with increased risk of secondary infections, viral reactivations, and late mortality. In this review, we will focus on the role of NACHT, leucin-rich repeat and pyrin-containing protein 3 (NLRP3) inflammasome in the pathophysiology of sepsis. NLRP3 inflammasome is a multiproteic intracellular complex activated by infectious pathogens through a two-step process resulting in the release of the pro-inflammatory cytokines IL-1β and IL-18 and the formation of membrane pores by gasdermin D, inducing a pro-inflammatory form of cell death called pyroptosis. The role of NLRP3 inflammasome in the pathophysiology of sepsis can be ambivalent. Indeed, although it might protect against sepsis when moderately activated after initial infection, excessive NLRP3 inflammasome activation can induce dysregulated inflammation leading to multiple organ failure and death during the acute phase of the disease. Moreover, this activation might become exhausted and contribute to post-septic immunosuppression, driving impaired functions of innate and adaptive immune cells. Targeting the NLRP3 inflammasome could thus be an attractive option in sepsis either through IL-1β and IL-18 antagonists or through inhibition of NLRP3 inflammasome pathway downstream components. Available treatments and results of first clinical trials will be discussed.