bluuebunny/crossref_metadata_2025 huggingface dataset:
Cleistogamous spike and chasmogamous spike carbon remobilization improve the seed potential yield of Cleistogenes songorica under water stress
Authors: Zhang Zhengshe , Bai Mengjie , Tao Qibo , Wu Fan , Yan Qi , Nan Zhibiao , Wang Yanrong , Zhang Jiyu
Published: April 2022

Developmental signals and environmental stresses regulate carbon distribution in the vegetative and reproductive organs of plants and affect seed yield. Cleistogenes songorica is a xerophytic grass with great potential application value in ecological restoration. However, how carbohydrate transport and distribution during grain filling affect the seed yield of C. songorica under water stress is not clear. The present study showed that the soluble sugar and starch contents of cleistogamous (CL) spikes and chasmogamous (CH) spikes were significantly higher at the milk stage, which was attributed to a significantly higher seed number and seed yield per spike under water stress conditions than under well-watered conditions (P < 0.01). RNA-seq data revealed a total of 54,525 differentially expressed genes (DEGs) under water stress conditions, but only 3744 DEGs were shared among all comparison groups. Weighted gene co-expression network analysis showed that the transport and distribution of carbohydrates were regulated by ABA-responsive genes (CsABA8OX1_1, CsABA8OX1_2, CsABA8OX2_1, CsABA8OX2_2, CsNCED3, CsNCED1_1, CsNCED1_2 and CsNCED4_1) and sugar transport and starch synthesis genes (CsSUS1, CsSUS2, CsSUS3, CsAGP1, CsAGP4, CsAGP5, CsSSS1 and CsSBE5) under water stress conditions. These genes jointly regulated carbohydrate remobilization in sources (stems, leaves and sheaths) to promote grain filling and improve seed yield. The present study helped to clarify the phenotypic, metabolic and transcriptional response mechanisms of vegetative organs, such as stems and leaves, and reproductive organs, such as CL spikes and CH spikes, to promote carbohydrate redistribution under water stress, and it provides theoretical guidance for improving seed yields.
IPED in Recreational Sports
Authors: Iff Samuel , Butzke Ingo , Zitzmann Michael , Schneiter Roger , Hunziker Manuela , Quednow Boris B. , Claussen Malte Christian
Published: April 2022

Abstract. IPED consumers seek medical advice when uncertain as to their use. Due to shame or fear of stigmatization IPED consumers are often reluctant to talk about their drug use; they fear prejudice and a lack of experience when caring for this specific patient group. In order to strengthen trust, a non-judgmental, non-stigmatizing and supportive attitude is essential. The interaction should primarily lead to an understanding of why AAS are being used, what the patient’s concerns are, and why medical help is being sought, without judgment or condemnation of the behavior. If no motivation to abstain from drug use is found during the consultation, harm reduction should be sought and the consequences of use addressed. Regular talks and active harm reduction can increase the confidence in evidence-based treatment to achieve personal motivation to abstain under medical supervision.
Interaction Between Climate and Tectonics in the Northern Lesser Antilles Inferred From the Last Interglacial Shoreline on Barbuda Island
Authors: Weil‐Accardo J. , Feuillet N. , Philibosian B. , Guihou A. , Jacques E. , Cabioch G. , Anglade A. , Meriaux A.‐S. , Deschamps P.
Published: April 2022

In the context of increasing evidence of plate interface coupling variability in subduction zones, there is a need to extend the short time window given by instrumental data and to gather data over multiple time and spatial scales. We hence investigated the long‐term topography on Barbuda island, located in the northern part of the Lesser Antilles, west of the Caribbean subduction zone. Following pioneering work using a set of marine terraces on the eastern side of the island, we performed the first U‐Th dating on 10 corals in growth position from the lowest terrace, for which the highest relative sea‐level (RSL) indicator is found at 9 ± 1 m above the mean sea level. We find that this terrace corresponds to the Last Interglacial (LIG) (ages between 122.8 ± 0.3 ka and 128.1 ± 0.3 ka) and we estimate a paleo RSL of 7 ± 2 m above the current mean sea level. The present elevation of the LIG shoreline on Barbuda might imply tectonics as an additional mechanism to eustatic sea level, mantle dynamic topography and glacial isostatic adjustment. East‐west morphological asymmetry of Barbuda and difference in LIG shoreline elevation between Barbuda and Antigua suggest a regional tectonic process. As with the proposed westward tilting from the forearc to the volcanic arc of the Guadeloupe archipelago, vertical deformation on Barbuda could be related to plate‐scale subduction processes. Long‐term uplift of Barbuda might be related to the accumulation of residual coseismic deformation not fully recovered by interseismic subsidence and the corresponding seismogenic segment would extend below the Moho.
Loss of Energetic Ions Comprising the Ring Current Populations of Jupiter's Middle and Inner Magnetosphere
Authors: Mauk B. H. , Allegrini F. , Bagenal F. , Bolton S. J. , Clark G. , Connerney J. E. P. , Gershman D. J. , Haggerty D. K. , Hue V. , Imai M. , Kollmann P. , Kurth W. S. , Nénon Q. , Paranicas C. P. , Rymer A. M. , Smith H. T. , Sulaiman A. H.
Published: April 2022

The low‐altitude, polar orbit of the Juno mission allows the Jupiter Energetic Particle Detector Instrument to view into, and resolve, the loss cone of energetic ions comprising the low‐altitude extension of Jupiter's ring current ions. For regions mapping from just inside Ganymede's orbit to well beyond Ganymede's orbit, energetic ions (>50 keV H+ and >130 keV Oxygen and Sulfur ions) are strongly scattered into the loss cone and lost to the magnetosphere at the “strong diffusion limit” at essentially all times. We conclude, by arguing against magnetic curvature scattering, that the cause is waves, perhaps associated with Alfvénic variations previously documented in this equatorial region. Scattering is generally weak or nonexistent near the orbits of the moons Europa and Io, except for the regions just downstream of the corotating plasmas. For Io, we sometimes observe moderate, but not saturated, scattering within roughly 60° downstream. Significantly, scattering is weak or nonexistent just upstream of Io's position, an asymmetry echoed in some previous wave observations. A preliminary accounting of the total (longitude‐averaged) scattering losses near Io's orbit yields loss rates of order 4%–5% of the strong diffusion limit for H+ and 5%–7% for heavy ions (O + S). We conclude that near Io's orbit, charge exchange losses likely dominate over scattering losses for heavy ions and for the lower energy H+ ions (roughly <200 keV).
Stirring and Mixing in the Wake of Angaur and Peleliu Islands, Palau
Authors: Johnston T.  M. Shaun
Published: April 2022

Temperature or salinity variability on isopycnals is referred to as spice, which acts as a tracer in the absence of mixing. The westward North Equatorial Current and eastward North Equatorial Countercurrent are incident upon Palau, where the meridional extent of the topography exceeds 100 km and the thermohaline structure on the up‐ and downstream sides of the islands can be distinct. Westward flow of high salinity water past two islands at the south point of Palau injects a spice anomaly into the wake in the form of a 15 km wide jet with changes of salinity of 0.1 psu across the headland and the jet. With three repeated surveys, several terms in the spice balance are estimated for the jet. Horizontal diffusivity has a typical value of about 11 m2 s−1 for 15‐km length scales, while the vertical diffusivity is about 10−5 m2 s−1 from the balance, with similar maximum estimates for the latter from a shear‐based parameterization. Typical vertical diffusivities at this latitude are about 10−6 m2 s−1, which is the area mean from the shear‐based parameterization. Amidst this typical background diffusion, the spice variance increases linearly in the wake over three successive surveys. The surveys occurred over similar but not identical areas, following the shifting flow. The spice anomaly is detected 100–200 km downstream and is consistent with the mesoscale flow obtained from altimetric absolute geostrophic currents. Spice anomalies are a useful way of tracing flows encountering abrupt topography.
Thank You to Our 2021 Reviewers
Authors: Destouni Georgia , Bierkens Marc F. P. , Hall Jim , Islam Shafiqul , Jha Madan Kumar , Kollet Stefan , Luce Charles H. , Mackay D. Scott , Moradkhani Hamid , Sanchez‐Vila Xavier , Singha Kamini , Stahl Kerstin , Troch Peter A. , Wohl Ellen
Published: April 2022

On behalf of the editorial board of Water Resources Research (WRR) and the entire water science community, we want to express our most heartfelt gratitude to all who reviewed manuscripts for the journal in 2021. Your great efforts have ensured and improved the high quality and impact of the WRR papers and generally of research in our field. In 2021, the 2,960 individuals listed below have contributed 4,788 peer reviews with the 432 people indicated in italics, reviewing three or more papers for the journal. The editors, associate editors, and authors of WRR sincerely thank all our reviewers and look forward to the exciting advances that will be published in WRR in 2022.
Sodium accumulation in breast cancer predicts malignancy and treatment response
Authors: James Andrew D. , Leslie Theresa K. , Kaggie Joshua D. , Wiggins Laura , Patten Lewis , Murphy O’Duinn John , Langer Swen , Labarthe Marie-Christine , Riemer Frank , Baxter Gabrielle , McLean Mary A. , Gilbert Fiona J. , Kennerley Aneurin J. , Brackenbury William J.
Published: April 2022

Background

Breast cancer remains a leading cause of death in women and novel imaging biomarkers are urgently required. Here, we demonstrate the diagnostic and treatment-monitoring potential of non-invasive sodium (23Na) MRI in preclinical models of breast cancer.

Methods

Female Rag2−/−Il2rg−/− and Balb/c mice bearing orthotopic breast tumours (MDA-MB-231, EMT6 and 4T1) underwent MRI as part of a randomised, controlled, interventional study. Tumour biology was probed using ex vivo fluorescence microscopy and electrophysiology.

Results

23Na MRI revealed elevated sodium concentration ([Na+]) in tumours vs non-tumour regions. Complementary proton-based diffusion-weighted imaging (DWI) linked elevated tumour [Na+] to increased cellularity. Combining 23Na MRI and DWI measurements enabled superior classification accuracy of tumour vs non-tumour regions compared with either parameter alone. Ex vivo assessment of isolated tumour slices confirmed elevated intracellular [Na+] ([Na+]i); extracellular [Na+] ([Na+]e) remained unchanged. Treatment with specific inward Na+ conductance inhibitors (cariporide, eslicarbazepine acetate) did not affect tumour [Na+]. Nonetheless, effective treatment with docetaxel reduced tumour [Na+], whereas DWI measures were unchanged.

Conclusions

Orthotopic breast cancer models exhibit elevated tumour [Na+] that is driven by aberrantly elevated [Na+]i. Moreover, 23Na MRI enhances the diagnostic capability of DWI and represents a novel, non-invasive biomarker of treatment response with superior sensitivity compared to DWI alone.
Description and optimization of a multiplex bead-based flow cytometry method (MBFCM) to characterize extracellular vesicles in serum samples from patients with hematological malignancies
Authors: Li Lin , Görgens André , Mussack Veronika , Pepeldjiyska Elena , Hartz Anne Sophie , Rank Andreas , Schmohl Jörg , Krämer Doris , Andaloussi Samir El , Pfaffl Michael W. , Schmetzer Helga
Published: April 2022

Extracellular Vesicles (EVs) are membranous vesicles produced by all cells under physiological and pathological conditions. In hematological malignancies, tumor-derived EVs might reprogram the bone marrow environment, suppress antileukemic immunity, mediate drug resistance and interfere with immunotherapies. EVs collected from the serum of leukemic samples might correlate with disease stage, drug-/immunological resistance, or might correlate with antileukemic immunity/immune response. Special EV surface protein patterns in serum have the potential as noninvasive biomarker candidates to distinguish several disease-related patterns ex vivo or in vivo. EVs were isolated from the serum of acute myeloid leukemia (AML), acute lymphoid leukemia (ALL), chronic lymphoid leukemia (CLL) patients, and healthy volunteers. EVs were characterized by transmission electron microscopy and fluorescence nanoparticle tracking analysis, and EV surface protein profiles were analyzed by multiplex bead-based flow cytometry to identify tumor- or immune system-related EVs of AML, ALL, CLL, and healthy samples. Aiming to provide proof-of-concept evidence and methodology for the potential role of serum-derived EVs as biomarkers in leukemic versus healthy samples in this study, we hope to pave the way for future detection of promising biomarkers for imminent disease progression and the identification of potential targets to be used in a therapeutic strategy.
Proprioceptive manipulations in orthograde posture modulate postural control in low back pain patients: a pilot study
Authors: Bouisset Nicolas , Roland-Gosselin Augustin , Ouaknine Maurice , Safin Jean Luc
Published: April 2022

As we stand upright, perceptual afferences are crucial to successfully help generating postural motor commands. Non-Specific Low Back Pain patients frequently demonstrate a lack of proprioceptive acuity, often translating into postural control deficiencies. For the first time, to our knowledge, we studied the postural effects of proprioceptive manipulations in orthograde posture on Non-Specific Low Back Pain patients. Using static posturography recordings, we computed sway speed, speed variance, and the main direction of sway. We also addressed the patient’s subjective feedbacks after being manipulated. Five minutes after the proprioceptive manipulations, our results revealed decreased speed and speed variance outcomes, but the main direction of sway was not modulated. Furthermore, after the proprioceptive manipulations, the patients also self-reported improved clinical outcomes. These findings provide new knowledge opening new fields of research as well as potential treatment strategies in Low Back Pain patients.
LM-GVP: an extensible sequence and structure informed deep learning framework for protein property prediction
Authors: Wang Zichen , Combs Steven A. , Brand Ryan , Calvo Miguel Romero , Xu Panpan , Price George , Golovach Nataliya , Salawu Emmanuel O. , Wise Colby J. , Ponnapalli Sri Priya , Clark Peter M.
Published: April 2022

Proteins perform many essential functions in biological systems and can be successfully developed as bio-therapeutics. It is invaluable to be able to predict their properties based on a proposed sequence and structure. In this study, we developed a novel generalizable deep learning framework, LM-GVP, composed of a protein Language Model (LM) and Graph Neural Network (GNN) to leverage information from both 1D amino acid sequences and 3D structures of proteins. Our approach outperformed the state-of-the-art protein LMs on a variety of property prediction tasks including fluorescence, protease stability, and protein functions from Gene Ontology (GO). We also illustrated insights into how a GNN prediction head can inform the fine-tuning of protein LMs to better leverage structural information. We envision that our deep learning framework will be generalizable to many protein property prediction problems to greatly accelerate protein engineering and drug development.
Impairment of sleep homeostasis in cervical dystonia patients
Authors: Caverzasio Serena , Amato Ninfa , Chiaro Giacomo , Staedler Claudio , Kaelin-Lang Alain , Galati Salvatore
Published: April 2022

Alterations in brain plasticity seem to play a role in the pathophysiology of cervical dystonia (CD). Since evidences indicate that sleep regulates brain plasticity, we hypothesized that an alteration in sleep homeostatic mechanisms may be involved in the pathogenesis of CD. We explored sleep in control subjects (CTL) and CD patients before (Tpre-BoNT) and after (Tpost-BoNT) botulinum toxin (BoNT) treatment. A physiological slow wave activity (SWA) power decrease throughout the night was observed in CTL but not in CD at Tpre-BoNT. BoNT restored the physiological SWA decrease in CD at Tpost-BoNT. Furthermore, in the first part of the night, CD at Tpost-BNT showed a frontal increase and parietal decrease in SWA power compared to CD at Tpre-BoNT, with a SWA distribution comparable to that observed in CTL. Our data highlighted a pathophysiological relationship between SWA during sleep and CD and provided novel insight into the transient central plastic effect of BoNT.
Hybrid selection based multi/many-objective evolutionary algorithm
Authors: Dutta Saykat , Mallipeddi Rammohan , Das Kedar Nath
Published: April 2022

In the last decade, numerous multi/many-objective evolutionary algorithms (MOEAs) have been proposed to handle multi/many-objective problems (MOPs) with challenges such as discontinuous Pareto Front (PF), degenerate PF, etc. MOEAs in the literature can be broadly divided into three categories based on the selection strategy employed such as dominance, decomposition, and indicator-based MOEAs. Each category of MOEAs have their advantages and disadvantages when solving MOPs with diverse characteristics. In this work, we propose a Hybrid Selection based MOEA, referred to as HS-MOEA, which is a simple yet effective hybridization of dominance, decomposition and indicator-based concepts. In other words, we propose a new environmental selection strategy where the Pareto-dominance, reference vectors and an indicator are combined to effectively balance the diversity and convergence properties of MOEA during the evolution. The superior performance of HS-MOEA compared to the state-of-the-art MOEAs is demonstrated through experimental simulations on DTLZ and WFG test suites with up to 10 objectives.
Effects of pore connectivity and tortuosity on the dynamics of fluids confined in sub-nanometer pores
Authors: Gautam Siddharth , Cole David R.
Published: April 2022

Molecular dynamics simulations reveal the effects of connectivity and tortuosity of sub-nanometer pores on the dynamics of confined fluids.
A polypyrrole-mediated photothermal biosensor with a temperature and pressure dual readout for the detection of protein biomarkers
Authors: Song Eunyeong , Tao Yingzhou , Shen Haicong , Yang Chaoyong , Tian Tian , Yang Liu , Zhu Zhi
Published: April 2022

A novel photothermal biosensor with a temperature and pressure dual readout was developed for CRP detection. The in situ synthesized polypyrrole exhibits photothermal effect under NIR light to increase temperature and pressure for portable readout.
A magnet-actuated microfluidic array chip for high-throughput pretreatment and amplification and detection of multiple pathogens
Authors: Zhou Mengfan , Su Huiying , Wang Bangfeng , Wan Chao , Du Wei , Chen Peng , Feng Xiaojun , Liu Bi-Feng
Published: April 2022

The outbreak of global infectious diseases has posed a significant threat to public health, requiring the rapid and accurate diagnosis of pathogens promptly for society to implement immediate control measures to prevent widespread pandemics.
Photoinduced charge separation in functional carbon–silver nanohybrids
Authors: Reale M. , Chandra S. , Buscarino G. , Emanuele A. , Cannas M. , Ikkala O. , Sciortino A. , Messina F.
Published: April 2022

Nanohybrids obtained by self-assembly in the liquid phase of carbon dots and silver nanoparticles, displaying marked charge separation and light-driven catalytic properties.
The effects of thermal treatment and irradiation on the chemical properties of natural diamonds
Authors: Litvak Ira , Cahana Avner , Anker Yaakov , Ruthstein Sharon , Cohen Haim
Published: April 2022

The modification of nitrogen-contaminated diamonds into color-enhanced diamonds is usually achieved by irradiation and thermal treatment (annealing).
Decomposition of multifunctionalized α-alkoxyalkyl-hydroperoxides derived from the reactions of Criegee intermediates with diols in liquid phases
Authors: Endo Yasuyuki , Sakamoto Yosuke , Kajii Yoshizumi , Enami Shinichi
Published: April 2022

The ozonolysis of alpha-terpineol with C3–C5 diols produced multifunctionalized ROOHs that decomposed into hemiacetals and H2O2 in acidic aqueous organic media.
β-Ga2O3: a potential high-temperature thermoelectric material
Authors: Ning Suiting , Huang Shan , Zhang Ziye , Zhao Bin , Zhang Renqi , Qi Ning , Chen Zhiquan
Published: April 2022

β-Ga2O3 shows excellent thermoelectric performance, which is superior to that of most other oxides.
Preparation of Bi/BiOBr sensitized titania nanorod arrays via a one-pot solvothermal method and construction of kanamycin photoelectrochemical aptasensors
Authors: Wu Min , Dong Mengyao , El-Bahy Zeinhom M. , Jing Tao , Mersal Gaber A. M. , Tian Jingzhi , Qi Haiyan , Shi Danni , Naik Nithesh , Murugadoss Vignesh , Ibrahim Mohamed M. , Huang Mina , Guo Zhanhu
Published: April 2022

Photoactive Bi/BiOBr/TiO2 NRA composites displayed an efficient visible light response and fast charge transport rate and were used to construct sensitive kanamycin photoelectrochemical aptasensors.
Rapid thermal annealing process for Se thin-film solar cells
Authors: Fu Liuchong , Zheng Jiajia , Yang Xuke , He Yuming , Chen Chao , Li Kanghua , Tang Jiang
Published: April 2022

A rapid thermal annealing process assists the synthesis of the preferred [003]-oriented Se thin film with a large grain size for photovoltaic application.
Efficient pretreatment using dimethyl isosorbide as a biobased solvent for potential complete biomass valorization
Authors: Yang Shuang , Yang Xianpeng , Meng Xianzhi , Wang Lei
Published: April 2022

Efficient pretreatment under mild conditions (120 °C, 60 min) using biobased dimethyl isosorbide for potential complete biomass valorization.
X-ray irradiation effects on Egyptian blue and green pigments
Authors: Godet Marie , Binet Laurent , Schöder Sebastian , Brunel-Duverger Lucile , Thoury Mathieu , Bertrand Loïc
Published: April 2022

EPR investigation of Egyptian blue and green irradiated by synchrotron X-rays has revealed the presence of radiation-induced defects (intrinsic and impurities) in both pigments. The green pigment is much more sensitive than the blue (browning).
Correction: Soft electrothermal actuators using silver nanowire heaters
Authors: Yao Shanshan , Cui Jianxun , Cui Zheng , Zhu Yong
Published: April 2022

Correction for ‘Soft electrothermal actuators using silver nanowire heaters’ by Shanshan Yao et al., Nanoscale, 2017, 9, 3797–3805, https://doi.org/10.1039/C6NR09270E.
Correction: KPb3(3-C5H4NCOO)2Cl5: a brand-new stable lead chloride with good comprehensive nonlinear optical performance
Authors: Bao Wen-Xiu , Zhou Zi-Qi , Tang Hong-Xin , Fu Rui-Biao , Ma Zu-Ju , Wu Xin-Tao
Published: April 2022

Correction for ‘KPb3(3-C5H4NCOO)2Cl5: a brand-new stable lead chloride with good comprehensive nonlinear optical performance’ by Wen-Xiu Bao et al., Inorg. Chem. Front., 2022, 9, 1830–1835, https://doi.org/10.1039/D2QI00171C.
Correction: A fluorescent biosensor for cardiac biomarker myoglobin detection based on carbon dots and deoxyribonuclease I-aided target recycling signal amplification
Authors: Chen Jishun , Ran Fengying , Chen Qinhua , Luo Dan , Ma Weidong , Han Tuo , Wang Ceming , Wang Congxia
Published: April 2022

Correction for ‘A fluorescent biosensor for cardiac biomarker myoglobin detection based on carbon dots and deoxyribonuclease I-aided target recycling signal amplification’ by Jishun Chen et al., RSC Adv., 2019, 9, 4463–4468, https://doi.org/10.1039/C8RA09459D.
There is more to life than serum vitamin D: a lesson from the past
Authors: Hewison Martin
Published: April 2022

This commentary revisits a paper from Clinical Science in 1972 entitled “The distribution and storage of vitamin D and its metabolites in human tissues” by Barbara Mawer, Bill Stanbury and colleagues. The paper continues to be well cited 50 years later, in part because the study it describes – which includes the use of human autopsy tissue – would be difficult to replicate today. However, the paper also has resonance today because the focus of the study – what is the fate of vitamin D in the body? – is still not clear. This commentary discusses why the Mawer et al. study was a major advance when published and why there is still much to be learned from this paper half a century later.
ANGPTL1 attenuates cancer migration, invasion, and stemness through regulating FOXO3a-mediated SOX2 expression in colorectal cancer
Authors: Chang Ting-Yu , Lan Kuo-Cheng , Chiu Chen-Yuan , Sheu Meei-Ling , Liu Shing-Hwa
Published: April 2022

Angiopoietin-like protein 1 (ANGPTL1) is a member of the ANGPTL family that suppresses angiogenesis, cancer invasion, metastasis, and cancer progression. ANGPTL1 is down-regulated in various cancers including colorectal cancer (CRC); however, the effects and mechanisms of ANGPTL1 on liver metastasis and cancer stemness in CRC are poorly understood. In the present study, we identified that ANGPTL1 was down-regulated in CRC and inversely correlated with metastasis and poor clinical outcomes in CRC patients form the ONCOMINE database and Human Tissue Microarray staining. ANGPTL1 significantly suppressed the migration/invasion abilities, the expression of cancer stem cell (CSC) markers, and sphere formation by enhancing FOXO3a expression, which contributed to the reduction of stem cell transcription factor SOX2 expression in CRC cells. Consistently, overexpression of ANGPTL1 reduced liver metastasis, tumor growth, and tumorigenicity in tumor-bearing mice. ANGPTL1 expression was negatively correlated with CSC markers expression and poor clinical outcomes in CRC patients. Taken together, these findings demonstrate that the molecular mechanisms of ANGPTL1 in colorectal cancer stem cell progression may provide a novel therapeutic strategy for CRC.
Comparing SRI funds to conventional funds using a PCA methodology
Authors: Helliar Christine , Petracci Barbara , Tantisantiwong Nongnuch
Published: April 2022

In this paper, we investigate characteristic differences between Socially Responsible Investment (SRI) funds and conventional funds across 35 different categories, including previously unexplored areas, such as fund manager skills and investment strategies. Further, we examine SRI and conventional funds globally rather than from just one country (e.g., US) or one region (e.g., Europe), covering funds listed in 22 different countries. We also adopt a new Principal Component Analysis (PCA) methodology for matching SRI funds against their conventional counterparts that significantly increases the sample size from previous studies, reducing selection bias and possibly explaining contradictory findings in the prior literature. Contributing to the literature, our findings show that: (i) SRI funds have more diversified portfolios than conventional funds; (ii) SRI funds have lower cash holdings while investing more in US equities; and (iii) SRI fund managers charge a smaller fee and are more successful in managing their portfolios. This is reassuring for investors who invest in SRI funds and for the future health and sustainability of the planet.
Nanoscale solid-state nuclear quadrupole resonance spectroscopy using depth-optimized nitrogen-vacancy ensembles in diamond
Authors: Henshaw Jacob , Kehayias Pauli , Saleh Ziabari Maziar , Titze Michael , Morissette Erin , Watanabe Kenji , Taniguchi Takashi , Li J. I. A. , Acosta Victor M. , Bielejec Edward S. , Lilly Michael P. , Mounce Andrew M.
Published: April 2022

Nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) spectroscopy of bulk quantum materials have provided insight into phenomena, such as quantum phase criticality, magnetism, and superconductivity. With the emergence of nanoscale 2D materials with magnetic phenomena, inductively detected NMR and NQR spectroscopy are not sensitive enough to detect the smaller number of spins in nanomaterials. The nitrogen-vacancy (NV) center in diamond has shown promise in bringing the analytic power of NMR and NQR spectroscopy to the nanoscale. However, due to depth-dependent formation efficiency of the defect centers, noise from surface spins, band bending effects, and the depth dependence of the nuclear magnetic field, there is ambiguity regarding the ideal NV depth for surface NMR of statistically polarized spins. In this work, we prepared a range of shallow NV ensemble layer depths and determined the ideal NV depth by performing NMR spectroscopy on statistically polarized 19F in Fomblin oil on the diamond surface. We found that the measurement time needed to achieve a signal-to-noise ratio of 3 using XY8-N noise spectroscopy has a minimum at an NV ensemble depth of 5.5 ± 1.5 nm for ensembles activated from 100 ppm nitrogen concentration. To demonstrate the sensing capabilities of NV ensembles, we perform NQR spectroscopy on the 11B of hexagonal boron nitride flakes. We compare our best diamond to previous work with a single NV and find that this ensemble provides a shorter measurement time with excitation diameters as small as 4 μm. This analysis provides ideal conditions for further experiments involving NMR/NQR spectroscopy of 2D materials with magnetic properties.
Terahertz photonics and optoelectronics of carbon-based nanosystems
Authors: Singh Arvind , Kumar Sunil
Published: April 2022

Carbon nanosystems are among the most explored condensed matter systems in recent times owing to their extraordinary optical, electronic, thermal, and mechanical properties suitable for various applications. In the emerging field of THz science and technology, carbon nanosystems have been widely studied for different potential applications such as THz polarizer, modulator, flexible/wearable THz sources, and detectors. There have been some recent advances even on the front of THz lasing in carbon-based systems. The existing and continuously growing THz technologies demand compact, fast, broadband sources/detectors, and other high-performance devices. In this article, we provide an overview of the recent developments that are taking place on carbon nanomaterials-based THz photonic and optoelectronic device concepts and demonstrations. Later, we identify and propose a future perspective on three key areas, i.e., room temperature operatable THz lasers, a nonlinear generation and ultrashort pulsed THz source, and THz cameras, all based on carbon nanosystems, which show high scope for their realization in the near future and, hence, require more intense research.
SAMPL9 blind predictions using nonequilibrium alchemical approaches
Authors: Procacci Piero , Guarnieri Guido
Published: April 2022

We present our blind predictions for the Statistical Assessment of the Modeling of Proteins and Ligands (SAMPL), ninth challenge, focusing on the binding of WP6 (carboxy-pillar[6]arene) with ammonium/diammonium cationic guests. Host–guest binding free energies have been calculated using the recently developed virtual double system single box approach, based on the enhanced sampling of the bound and unbound end-states followed by fast switching nonequilibrium alchemical simulations [M. Macchiagodena et al., J. Chem. Theory Comput. 16, 7160 (2020)]. As far as Pearson and Kendall coefficients are concerned, performances were acceptable and, in general, better than those we submitted for calixarenes, cucurbituril-like open cavitand, and beta-cyclodextrines in previous SAMPL host–guest challenges, confirming the reliability of nonequilibrium approaches for absolute binding free energy calculations. In comparison with previous submissions, we found a rather large mean signed error that we attribute to the way the finite charge correction was addressed through the assumption of a neutralizing background plasma.
Unified theory of atom-centered representations and message-passing machine-learning schemes
Authors: Nigam Jigyasa , Pozdnyakov Sergey , Fraux Guillaume , Ceriotti Michele
Published: April 2022

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of atom-centered environments, which are associated with an atomic property or with an atomic contribution to an extensive macroscopic quantity. Frameworks in this class can be understood in terms of atom-centered density correlations (ACDC), which are used as a basis for a body-ordered, symmetry-adapted expansion of the targets. Several other schemes that gather information on the relationship between neighboring atoms using “message-passing” ideas cannot be directly mapped to correlations centered around a single atom. We generalize the ACDC framework to include multi-centered information, generating representations that provide a complete linear basis to regress symmetric functions of atomic coordinates, and provide a coherent foundation to systematize our understanding of both atom-centered and message-passing and invariant and equivariant machine-learning schemes.
Facile fabrication of highly porous nylon-11 layer for flexible high-performance triboelectric nanogenerator
Authors: Yang Zhuanqing , Zhang Xi , Nie Ya , Xiang Gang
Published: April 2022

Here, we report a facile method for the fabrication of flexible triboelectric nanogenerator (TENG) with a porous electropositive triboelectric (TE) layer. The electropositive TE layer composed of a highly porous nylon-11 layer on a conductive fabric is first fabricated by the one-pot method of non-solvent phase separation and then assembled with the electronegative TE layer composed of poly-(vinylidene difluoride) (PVDF) nanofibers to obtain the TENG. The TENG is flexible owing to the incorporation of the porous nylon-11 layer and the PVDF nanofibers. Meanwhile, the TENG exhibits outstanding characteristics, including an output open-voltage of 323 V and a power density of 1.06 W/m2, better than those previously reported values in TENGs with nylon-11 TE layers. To demonstrate its power supply capability, the TENG is further used to power practical electronic devices. Our results provide a facile and low-cost approach for the production of a flexible TENG with high performance.
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory
Authors: Litman Y. , Pós E. S. , Box C. L. , Martinazzo R. , Maurer R. J. , Rossi M.
Published: April 2022

Reactions involving adsorbates on metallic surfaces and impurities in bulk metals are ubiquitous in a wide range of technological applications. The theoretical modeling of such reactions presents a formidable challenge for theory because nuclear quantum effects (NQEs) can play a prominent role and the coupling of the atomic motion with the electrons in the metal gives rise to important non-adiabatic effects (NAEs) that alter atomic dynamics. In this work, we derive a theoretical framework that captures both NQEs and NAEs and, due to its high efficiency, can be applied to first-principles calculations of reaction rates in high-dimensional realistic systems. More specifically, we develop a method that we coin ring polymer instanton with explicit friction (RPI-EF), starting from the ring polymer instanton formalism applied to a system–bath model. We derive general equations that incorporate the spatial and frequency dependence of the friction tensor and then combine this method with the ab initio electronic friction formalism for the calculation of thermal reaction rates. We show that the connection between RPI-EF and the form of the electronic friction tensor presented in this work does not require any further approximations, and it is expected to be valid as long as the approximations of both underlying theories remain valid.
The nature of supermolecular bonds: Investigating hydrocarbon linked beryllium solvated electron precursors
Authors: Jackson Benjamin A. , Miliordos Evangelos
Published: April 2022

Beryllium ammonia complexes Be(NH3)4 are known to bear two diffuse electrons in the periphery of a Be(NH3)42+ skeleton. The replacement of one ammonia with a methyl group forms CH3Be(NH3)3 with one peripheral electron, which is shown to maintain the hydrogenic-type shell model observed for Li(NH3)4. Two CH3Be(NH3)3 monomers are together linked by aliphatic chains to form strongly bound beryllium ammonia complexes, (NH3)3Be(CH2)nBe(NH3)3, n = 1–6, with one electron around each beryllium ammonia center. In the case of a linear carbon chain, this system can be seen as the analog of two hydrogen atoms approaching each other at specific distances (determined by n). We show that the two electrons occupy diffuse s-type orbitals and can couple exactly as in H2 in either a triplet or singlet state. For long hydrocarbon chains, the singlet is an open-shell singlet nearly degenerate with the triplet spin state, which transforms to a closed-shell singlet for n = 1 imitating the σ-covalent bond of H2. The biradical character of the system is analyzed, and the singlet–triplet splitting is estimated as a function of n based on multi-reference calculations. Finally, we consider the case of bent hydrocarbon chains, which allows the closer proximity of the two diffuse electrons for larger chains and the formation of a direct covalent bond between the two diffuse electrons, which happens for two Li(NH3)4 complexes converting the open-shell to closed-shell singlets. The energy cost for bending the hydrocarbon chain is nearly compensated by the formation of the weak covalent bond rendering bent and linear structures nearly isoenergetic.
Wake stabilization behind a cylinder by secondary flow over the leeward surface
Authors: Yu Haiyang , Chen Wen-Li , Xu Zhihan , Li Hui , Gao Donglai
Published: April 2022

Porous coating and blowing jets are both effective flow control methods for a bluff body. In the present study, we conducted wind tunnel experiments to investigate the combined control effects on a circular cylinder. The flow control was achieved by active steady blowing flows through the structured porous surface on the leeward side of the cylinder. The Reynolds number Re in the experiments, based on the cylinder outer diameter, was 1.0×104. The control effects were evaluated by a non-dimensional blowing momentum coefficient Cμ, which was determined by various blowing mass flow rates, incoming wind speed, and the geometry of the porous surface. Reduced-order models, including proper orthogonal decomposition (POD) and dynamic mode decomposition (DMD), were employed to analyze the wake stabilization effects of the secondary jet flows. We found that, under the control of secondary flows ejected from the porous region of the cylinder, POD modal characteristics in the global flow wake were changed; temporal and spatial properties of DMD transformed; frequency and mode of the vortex shedding process shifted; statistical turbulent flow characteristics ameliorated; and the estimated drag coefficients restrained. Experimental results in the present study demonstrated that the secondary flow ejected from the structured porous surface and the resultant small-scale vortices could stabilize the cylinder wake with proper Cμ values.
AlGaN nanowire deep ultraviolet light emitting diodes with graphene electrode
Authors: Parimoo Heemal , Zhang Qihua , Vafadar Mohammad , Sivasundarampillai Jenaes , Zhao Songrui
Published: April 2022

Despite graphene being an attractive transparent conductive electrode for semiconductor deep ultraviolet (UV) light emitting diodes (LEDs), there have been no experimental demonstrations of any kind of semiconductor deep UV LEDs using a graphene electrode. Moreover, although aluminum gallium nitride (AlGaN) alloys in the format of nanowires are an appealing platform for surface-emitting vertical semiconductor deep UV LEDs, in particular, at short wavelengths, there are few demonstrations of AlGaN nanowire UV LEDs with a graphene electrode. In this work, we show that transferred graphene can serve as the top electrode for AlGaN nanowire deep UV LEDs, and devices emitting down to around 240 nm are demonstrated. Compared to using metal, graphene improves both the light output power and external quantum efficiency. Nonetheless, devices with a graphene electrode show a more severe efficiency droop compared to devices with metal. Here, we attribute the heating effect associated with the large contact resistance to be the major reason for the severe efficiency droop in the devices with a graphene electrode. Detailed scanning electron microscopy and Raman scattering experiments suggest that the nanowire height nonuniformity is the main cause for the large contact resistance; this issue could be potentially alleviated by using nanowires grown by selective area epitaxy that is able to produce nanowires with uniform height. This work, therefore, not only demonstrates the shortest wavelength LEDs using a graphene electrode but also provides a viable path for surface-emitting vertical semiconductor deep UV LEDs at short wavelengths.
Evidence for continent-wide convergent evolution and stasis throughout 150 y of a biological invasion
Authors: Wu Yihan , Colautti Robert I.
Published: April 2022

Significance

Adaptive evolution can help species to persist and spread in new environments, but it is unclear how the rate and duration of adaptive evolution vary throughout species ranges and on the decadal timescales most relevant to managing biodiversity for the 21st century. Using herbarium records, we reconstruct 150 y of evolution in an invasive plant as it spread across North America. Flowering phenology evolves to adapt to local growing seasons throughout the range but stalls after about a century. This punctuated, convergent evolution recapitulates long-term dynamics in the fossil record, implicating limits to evolutionary rates that are not evident for the first century of spread.
High precision roundness measurement by error separation techniques (EURAMET.L-S30)
Authors: Prieto Emilio , Muñoz Rafael , Koops Richard , Toftegaard Jens Bo , Astrua Milena , Nouira Hichem , Salgado José
Published: April 2022

Main text

The results of the supplementary comparison EURAMET.L-S30 on roundness measurement on two spheres by using error separation techniques are reported. Five National Metrology Institutes from EURAMET participated in this comparison, which lasted nine months from March 2020 to November 2020.

Two alumina spheres with diameters of 20 mm and 25 mm, respectively, were circulated. The sphere standards were permanently glued to base supports made of steel and they had to be clamped by each laboratory's own usual methods. The measurand was the roundness defect, measured on the equator. Peak-to-valley roundness deviation (RONt) had to be evaluated with reference to the least squares reference circle (LSCI) and, if possible, to the minimum zone reference circles (MZCI), in accordance with the ISO/TS 12181-1:2011.

Each laboratory had to use an error separation technique to remove the contribution of the spindle error. In case of using a multistep technique it was advisable to inform on the number of steps used.

All participants successfully demonstrated the validity of the claimed measurement capability. Three of them submitted their approved CMCs and two others smaller values which were shown to be valid when compared to the reference value. One participant did not use an error separation technique, showing, as expected, a higher uncertainty with respect to the rest of the participants but according to its declared CMC.

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.

The final report has been peer-reviewed and approved for publication by the CCL, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Final report of AFRIMETS.M.D-S4 - hydrometer calibrations
Authors: Hamdy Mohamed , Becerra Luis Omar , Mautjana Ramaite Thomas
Published: April 2022

Main text

A supplementary comparison for hydrometer calibration using Cuckow's method was proposed during the 10th AFRIMETS Committee for Mass and Related Quantities (TCM) meeting held at the National Institute of Standards (NIS, Egypt). Two laboratories only from AFRIMETS, NIS and the National Metrology Institute of South Africa (NMISA), had the capacity to participate in the comparison. Generously, Centro Nacional de Metrologia (CENAM, Mexico) accepted to participate in the comparison and provided reference values. This comparison, designated as AFRIMETS.M.D-S4, was coordinated by the NIS supported by all participants. The corrections to be applied to three stated scale readings at 20 °C of different transfer standards in the density range between 0.600 g/cm3 to 1.300 g/cm3 were determined. NIS carried out the measurement at the beginning and at the end of the comparison.

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.

The final report has been peer-reviewed and approved for publication by the CCM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
EURAMET.M.FF-S13 final report
Authors: Huovinen M , Frahm E
Published: April 2022

Main text

The purpose of the Supplementary Comparison (S13) for water flow measurement (EURAMET 1473 and EURAMET.M.FF-S13) is to support the Calibration and Measurement Capabilities (CMC) entry of VTT MIKES, the National Metrology Institute of Finland. For this goal, a bilateral comparison between VTT MIKES and PTB Braunschweig was realized. The laboratory "Hydrodynamic Test Field" of department 1.5 "Liquid Flow" acted as the reference facility. The results of the comparison showed good equivalencies and supports the CMC claim of VTT MIKES.

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.

The final report has been peer-reviewed and approved for publication by the CCM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).