bluuebunny/crossref_metadata_2025 huggingface dataset:
Sustainable land reclamation in coastal area
Authors: Kitazume Masaki
Published: January 2022

Many land reclamation projects have been carried out worldwide for many years to create new land from oceans, seas, riverbeds or lakebeds for several purposes. Historically, agriculture was the first drive for land reclamation, followed by urbanization and industrialization. Recent worldwide globalization has enhanced international trading and promoted many land reclamation projects in coastal areas. Land reclamation requires a large amount of relatively high-quality fill soil, which is used to obtain from mountains, rivers and seabeds. For this purpose, many land reclamation projects have been carried out together with other projects, such as dredging projects at rivers and coastal areas and/or the development of mountainous areas. Recently, it has become difficult to obtain such soil at reasonable cost because of restricted environmental protection, which requires the use of lower-quality soil as a reclamation material. Reclaimed land and sea walls are highly susceptible to ground instability, ground settlement and soil liquefaction, which can amplify the amount of damage to buildings and infrastructure there. Various ground improvement techniques have been developed to assure the stability of the sea wall and reduce and accelerate the ground settlement of reclaimed land. As environmental issues have become very critical in recent years, it is necessary to develop sustainable land reclamation techniques to promote the beneficial use of dredged soil and waste, minimize the environmental impact and create a rich natural environment. In this manuscript, the history of land reclamation in the Tokyo Bay area is briefly introduced, and current technologies regarding ground improvement and preservation of environmental conditions are presented to determine the future trends of sustainable land reclamation technologies.
„Es waren Kreativität und Umdenken
erforderlich.“ Auswirkungen der COVID-19 Pandemie auf die spezialisierte
ambulante Palliativversorgung (SAPV). Eine bundesweite
Onlinebefragung
Authors: Gebel Cordula , Kloppenburg Lars , Jansky Maximiliane Katharina , Nauck Friedemann , Schade Franziska , Wedding Ulrich
Published: January 2022

Ziel der Studie  Die Studie erforscht die Auswirkungen der COVID-19 Pandemie und
die zu ihrer Eindämmung erfolgten Maßnahmen auf die
Tätigkeit der spezialisierten ambulanten Palliativversorgung (SAPV) aus
Sicht der SAPV-Leitungspersonen. Methodik  In dieser Querschnittsstudie wurde
ein Onlinefragebogen mit quantitativen und qualitativen Fragen entwickelt und
verwendet, der sich auf die Erfahrungen der SAPV in der ersten und zweiten Welle
der COVID-19 Pandemie in Deutschland bezieht. In einem strukturierten
Rekrutierungsprozess wurden alle SAPV-Teams (n=357) zur Teilnahme
aufgefordert. Ergebnisse  Vom 10.10.2020 bis 07.01.2021 nahmen 154 SAPV-Teams
teil (Rücklaufquote 43%). Sie beschreiben deutliche Auswirkungen
der COVID-19 Pandemie auf ihre Tätigkeit. Trotz pandemiebedingter
Probleme der Personalverfügbarkeit (78,5%), konnte die
Palliativversorgung der Patient*innen weitestgehend sichergestellt
werden. Die Zahl der zu betreuenden Patient*innen blieb für die
meisten Teams gleich, war für einige zunehmend und nur für
wenige abnehmend. Zentral war die Umstellung der direkten Kontakte zu
Patient*innen und deren Angehörigen auf telefonische Kontakte.
Als zusätzlich erschwerend wurden die generelle Vermeidung von
Kontakten, die Einhaltung von Hygienebestimmungen bei notwendigen
persönlichen Kontakten und die pandemiebezogenen Unsicherheiten und
Ängste sowohl im Team selbst, als auch bei Angehörigen und
Patient*innen, angegeben. Die Beschaffung von Schutzausrüstung
war in der ersten Welle eine Herausforderung. Probleme in der Zusammenarbeit mit
Kooperationspartnern (z. B. stationäre Pflegeeinrichtungen und
ambulante Hospizdienste) hatten sich im Pandemieverlauf abgebaut, waren jedoch
in allen Bereichen größer als zuvor. Viele Maßnahmen zur
Bewältigung der pandemischen Herausforderungen wurden umgesetzt, andere
als sinnvoll aber nicht umgesetzt bewertet, weitere als nicht sinnvoll oder
umsetzbar.Schlussfolgerungen  SAPV-Teams berichten, dass es ihnen trotz der
Notwendigkeit der Anpassung vieler Prozesse an die Situation der Pandemie
gelungen ist, die Versorgung der Patient*innen, wenn auch unter
erschwerten Bedingungen, aufrecht zu erhalten.
High Incidence of Hippocampal Abnormalities in Pediatric Patients with Congenital Cytomegalovirus Infection
Authors: Natsume Takenori , Inaba Yuji , Osawa Yoshihiro , Fukuyama Tetsuhiro
Published: January 2022

Background Congenital cytomegalovirus (CMV) infection exhibits polymicrogyria, intracranial calcification, white matter lesions, and several types of intracranial lesions on magnetic resonance imaging (MRI), in addition to various developmental disorders and epilepsies. However, little is known on the presence of hippocampal abnormality in this affliction. The aim of this study is to clarify the incidence of hippocampal abnormality in congenital CMV infection.

Methods Seventeen children diagnosed as having congenital CMV infection along with 17 age-matched pediatric controls were retrospectively evaluated by brain MRI and clinical review. The measurement data were obtained from conventional coronal sections in this retrospective study. Hippocampal malrotation (HIMAL) was defined as a hippocampal diameter ratio (i.e., the ratio of the height and width of the hippocampus) of >0.92.

Results Hippocampal diameter ratios were significantly higher in the congenital CMV infection group (0.99 [range: 0.70–1.58] on the right side and 0.85 [range: 0.66–1.39] on the left side) than in controls (0.71 [range: 0.58–0.91] and 0.70 [range: 0.50–1.00], respectively). HIMAL was present in 17 of 34 hippocampi (50%) in the congenital CMV infection group and 1 of 34 hippocampi (2.9%) in controls. No correlations were detected between HIMAL and intelligence quotient/developmental quotient or the occurrences of autism spectrum disorder or epilepsy.

Conclusion This study is the first to demonstrate the incidence of hippocampal abnormality to be significantly higher in congenital CMV infection patients than in age-matched controls. Further study is necessary to clarify the associations of HIMAL with other clinical and developmental features.
Accelerated Asymmetric Reaction Screening with Optical Assays
Authors: Wolf Christian , Hassan Diandra Safira , Kariapper F. Safia , Lynch Ciarán C.
Published: January 2022

Asymmetric reaction development often involves optimization of several mutually dependent parameters that affect the product yield and enantiomeric excess. Widely available high-throughput experimentation equipment and optical sensing assays can drastically streamline comprehensive optimization efforts and speed up the discovery process at reduced cost, workload, and waste production. A variety of chiroptical assays that utilize fluorescence, UV, and circular dichroism measurements to determine reaction yields and ee values are now available, enabling the screening of numerous small-scale reaction samples in parallel with multi-well plate technology. Many of these optical methods considerably shorten work-up protocols typically required for traditional asymmetric reaction analysis and some can be directly applied to crude mixtures thus eliminating cumbersome separation and purification steps altogether.

1 Introduction

2 Fluorescence Assays

3 UV Sensing Methods

4 Sensing with Circular Dichroism Probes

5 Hybrid Approaches

6 Optical Analysis with Intrinsically CD-Active Reaction Products

7 Conclusion
Outside-In Strategy for Peptide-Based Methacrylate and Methacrylamide Zwitterionic Cross-Linkers
Authors: Waynant Kristopher V. , Chakraborty Moubani
Published: January 2022

Polyampholyte hydrogels have shown promise as functional biomaterial platforms with resistance to nonspecific protein adsorption (nonbiofouling). Yet there are few zwitterionic cross-linkers available to complement these materials and to provide an extended charge density throughout the 3D network. The recent development of peptide-based zwitterionic cross-linkers has shown merit. Indeed, the use of functionalizable amino acids permits the synthesis of a series of peptide-based zwitterionic methacrylate and methacrylamide cross-linkers. Methacrylate additions prior to peptide coupling provide an outside-in strategy when using natural l-serine or l-lysine as substrates to produce a series of methacrylate and methacrylamide combinations, expanding the library of peptide-based cross-linkers. Here, we describe the preparation of such dipeptide combinations as Ser-Lys, Lys-Ser, and Lys-Lys in zwitterionic bis(methacrylate/methacrylamide) cross-linkers. To highlight the utility of this method and its potential to increase the distance between zwitterionic components, syntheses of the tripeptide Lys-Gly-Lys dimethacrylamide and Ser-Gly-Ser dimethacrylate are reported.
Stereoselective Synthesis of Cyclohexane Derivatives: Tandem Lithium Iodide Mediated Intramolecular Conjugate Addition of Thiols to α,β-Bisenones
Authors: Seo SungYong , Jeon Minseok , Yun Chaeyoung
Published: January 2022

A tandem intramolecular conjugate addition reaction was conducted with α,β-bisenones as selected Michael acceptors which were converted into 1,2,3-trisubstituted six-membered rings in the presence of activated sulfur nucleophiles. The products were obtained in good to excellent yields (maximum yield: 99%). Various substituted α,β-bisenones and sulfur nucleophiles were examined to understand the substrate scope of the reaction. Only one diastereomer was isolated, as lithium iodide mediated enolate trapping reactions improve the stereoselectivity of reactions involving 1,2,3-trisubstituted cyclohexanes.
Cascade Reaction of 3-Phenacylideneoxindoles with Trimethylsilyl Cyanide: Synthesis of Furan-Fused 1,3-Benzodiazepin-2-one Derivatives
Authors: Li Xiao-Juan , Ma Jing , Li Shao-Yi , Aisikaer Ailipire
Published: January 2022

A cascade reaction of 3-phenacylideneoxindoles with trimethylsilyl cyanide is described. This method provides an efficient route for the synthesis of furan-fused 1,3-benzodiazepin-2-one derivatives by simply refluxing a reaction mixture of various 3-phenacylideneoxindoles with trimethylsilyl cyanide in the presence of H2O and K2CO3.
Synthetic Approach toward (–)-Tetrodotoxin via Construction of the Bicyclo[2.2.2]octane Skeleton
Authors: Fukuyama Tohru , Yokoshima Satoshi , Kobayashi Kazuki , Senoo Yoshiki , Toma Tatsuya
Published: January 2022

A synthetic approach toward (–)-tetrodotoxin (TTX) is described. Our approach features a stereoselective construction of the TTX core structure using the bicyclo[2.2.2]octane skeleton which was constructed via intramolecular Diels–Alder reaction of an o-quinone monoketal having the key functional groups. The robust asymmetric synthesis was achieved by an iridium-catalyzed dynamic kinetic resolution (DKR) of the aryl vinyl carbinol that could be easily prepared from a simple aromatic compound.
Recurrent Blistering Skin Lesions and Reversible Monocular Abducens Paralysis in a Patient with CD59 Deficiency
Authors: Güngör Mesut , Demirsoy Evren , Güneş Ayfer Sakarya , Anık Yonca , Kara Bülent
Published: January 2022

Congenital CD59 deficiency is an autosomal recessive disease characterized by mild-to-moderate chronic intravascular hemolysis, relapsing demyelinating peripheral neuropathies, and recurrent ischemic central nervous system strokes. We report a 2-year-old Turkish girl with a history of two episodes of Guillain-Barré syndrome-like acute weakness, reversible monocular abducens paralysis, and recurrent blistering skin lesions during periods of upper respiratory tract infections. Reversible monocular abducens palsy and recurrent blistering skin lesions have not been reported previously in cases of congenital CD59 deficiency.
What shapes local health system actors’ thinking and action on social inequalities in health? A meta-ethnography
Authors: McMahon Naoimh E.
Published: January 2022

Local health systems are increasingly tasked to play a more central role in driving action to reduce social inequalities in health. Past experience, however, has demonstrated the challenge of reorienting health system actions towards prevention and the wider determinants of health. In this review, I use meta-ethnographic methods to synthesise findings from eleven qualitative research studies that have examined how ambitions to tackle social inequalities in health take shape within local health systems. The resulting line-of-argument illustrates how such inequalities continue to be problematised in narrow and reductionist ways to fit both with pre-existing conceptions of health, and the institutional practices which shape thinking and action. Instances of health system actors adopting a more social view of inequalities, and taking a more active role in influencing the social and structural determinants of health, were attributed to the beliefs and values of system leaders, and their ability to push-back against dominant discourses and institutional norms. This synthesised account provides an additional layer of understanding about the specific challenges experienced by health workforces when tasked to address this complex and enduring problem, and provides essential insights for understanding the success and shortcomings of future cross-sectoral efforts to tackle social inequalities in health.
The calculated energies and charge and spin distributions of the excited GR1 state in diamond
Authors: Mackrodt William C. , Gentile Francesco S. , Dovesi Roberto
Published: January 2022

This paper reports the energies and charge and spin distributions of both the vertically excited and fully relaxed GR1 states of the neutral singlet vacancy in diamond obtained from direct Δ-SCF calculations used previously to describe the low-lying excited states in AFII NiO and α-Al2O3. The calculations are based on the B3LYP functional in its standard form, with a C basis set that is identical to that which was used previously in numerous calculations of the ground state properties of defective diamond. Both the vertically excited and thermally relaxed GR1 states are predicted to be excitonic and insulating, with extensive re-distribution of charge and spin density and back-donation to the donor site. The present calculations suggest that the triplet state makes no contribution to the GR1 excitation. The predicted energy of the zero phonon line (1.57 eV) compares with the observed value of 1.67 eV, which also suggests that the GR1 state is neutral. The bandgaps lead to an estimate of the next higher (GR2) excited state energy, which is close to that found in the observed spectra. Similar calculations are used to predict the energies of the higher gap states at (5.0–5.5) eV, including the bulk value of 7.3 eV, which compares with the experimental value of (7.3–7.4) eV. An explanation is suggested as to why only the GR1 luminescence is observed. This paper also suggests an alternative channel for the recovery of the ground state in photoluminescence studies.
Interfacial dynamics of viscous droplets impacting a superhydrophobic candle soot surface: Overview and comparison
Authors: Sarma Bhaskarjyoti , Dalal Amaresh , Basu Dipankar Narayan
Published: January 2022

The impact of droplets on textured or rough surfaces has garnered remarkable appreciation due to its multifarious applications such as self-cleaning, anti-icing, and anti-fouling, leading to a plethora of engineered superhydrophobic surfaces (SHPs) exhibiting different interfacial dynamics during impact. However, the prime limiting factors in using these surfaces abundantly arise from their long fabrication time and concurrent high cost. Here, we propose using carbon soot nanoparticle (CSNPs) coated fractal superhydrophobic surfaces prepared from flame deposition as an alternative to overcome the limitations. We establish our claim by exploring the dynamic wetting behavior of the soot-coated surface in terms of key droplet impact parameters such as rebounding, contact time, impalement transition, and splashing dynamics. A systematic investigation is undertaken by considering a vast range of viscosity and impact conditions. One of the significant observations is the absence of the partial rebound regime during the impact of water droplets on the CSNPs surface, unlike most of the existing superhydrophobic surfaces under similar impact conditions. Furthermore, the surface promotes droplet splashing for moderately viscous solutions at high impact velocities, also characterized by unified scaling laws based on different non-dimensional numbers. Finally, a regime map is proposed to elucidate the complete dynamic wetting characteristics of these CSNPs' surfaces for viscous fluids, which further reflects competitive and equal, if not superior, wetting behavior compared to a series of existing non-wetting surfaces. The results are expected to promote CSNPs based surfaces in applications such as self-cleaning, oil-water separation, and thermal management.
High energy and power density achieved in Pb0.94La0.04HfO3 antiferroelectric ceramics with multiple phase transition
Authors: Xu Ran , Zhu Qingshan , Xu Zhuo , Feng Yujun , Wei Xiaoyong
Published: January 2022

Antiferroelectrics (AFEs) with high energy density and fast discharge speed are greatly needed to improve the performance of capacitors. In the present work, La-doped PbHfO3 ceramics were fabricated and the antiferroelectricity was investigated. The complicated phase transition behavior at both high electric field and rising temperature in composition Pb0.94La0.04HfO3 was revealed. Multiple phase transition was observed at high field, and when rising the temperature to 110 °C, an intermediate phase transition to another AFE phase was observed. The Pb0.94La0.04HfO3 ceramics have a high recoverable energy density of 10.2 J/cm3 and efficiency of 81.7%. Double P–E loop could be observed even at 180 °C, ensuring the high energy density at high temperature. In addition, a high current density of 2109 A/cm2 and a power density of 369 MW/cm3 could be obtained. This work revealed the antiferroelectricity in La-doped PbHfO3 ceramics and proved their potential for high energy and power density applications.
Colloidal II–VI—Epitaxial III–V heterostructure: A strategy to expand InGaAs spectral response
Authors: Khalili Adrien , Abadie Claire , Dang Tung Huu , Chu Audrey , Izquierdo Eva , Dabard Corentin , Gréboval Charlie , Cavallo Mariarosa , Zhang Huichen , Pierini Stefano , Prado Yoann , Xu Xiang Zhen , Ithurria Sandrine , Vincent Grégory , Coinon Christophe , Desplanque Ludovic , Lhuillier Emmanuel
Published: January 2022

For short wave infrared (SWIR) sensing, InGaAs is the leading technology combining high carrier mobility, high homogeneity, and complete control over the n-to-p doping. In the meanwhile, numerous alternative materials have tried to compete with InGaAs. Among them, colloidal nanocrystals with narrow bandgap can address the current issue in designing cost-effective sensors for the SWIR range. Rather than putting these two materials against each other, we design here a synergistic duo in which HgTe nanocrystals are used to broaden the spectral range of InGaAs while lifting the lattice matching constraints. We propose a diode geometry where a p-type HgTe NC array is coupled with n-type InGaAs wires, which are used as high mobility (μ > 1000 cm2 V−1 s−1) minority carrier extractors. This approach also demonstrates that Van der Waals heterostructures are not limited to graphene-like materials, and that bulk-like III–V semiconductors can also be light sensitized by colloidal nanoparticles. This work paves the way toward further synergies between epitaxially grown and colloidally grown semiconductors for infrared detection.
Deep learning model to assist multiphysics conjugate problems
Authors: El Haber George , Viquerat Jonathan , Larcher Aurelien , Ryckelynck David , Alves Jose , Patil Aakash , Hachem Elie
Published: January 2022

The availability of accurate and efficient numerical simulation tools has become of utmost importance for the design and optimization phases of existing industrial processes. The latter requires the computation of multiple physical fields governed by coupled systems of partial differential equations and tends to require large computational resources. Recently, the coupling of machine learning techniques with numerical simulation tools has allowed lifting part of this computational burden, by replacing parts of the resolution process with trained neural networks, whose execution cost is far less than their traditional counterparts. In this work, an auto-encoder convolutional neural network is suggested to reduce the resolution cost of the forced cooling of a hot workpiece in a confined space by modeling the scalar transport equation coupled to the Navier–Stokes equations. Although the proposed model was trained on a relatively limited amount of data, it was able to generalize accurately for different cooling setups with different inlet locations, thus leading to a reliable deep learning-assisted numerical solver.
Compact reversed Cherenkov radiation oscillator with high efficiency
Authors: Lyu Zhifang , Luo Hengyu , Wang Xin , Jiang Shengkun , Jin Dejun , Gong Yubin , Chen Min , Duan Zhaoyun
Published: January 2022

An all-metal metamaterial slow-wave structure (MSWS), which comprises a hollow circular waveguide loaded by periodically arranged complementary electric split-ring resonators (CeSRRs), is proposed. Due to the CeSRRs with the characteristics of both subwavelength and strong resonance, the MSWS has both compact size and high interaction impedance relative to conventional SWS. Based on the reversed Cherenkov radiation in the MSWS, a compact reversed Cherenkov radiation oscillator (RCRO) with high efficiency is developed. The measured electronic efficiency is 19.54%, and measured output power is 10.16 kW at 2.221 GHz under the conditions that the beam voltage is 26 kV, the beam current is 2.0 A, and axial magnetic flux density is ∼962 G. The experimental results clearly show that the brand-new RCRO can be applied to large-scale scientific facilities, medical imaging, microwave heating, microwave disinfection and sterilization, and so on.
Analytic calculation of the Berry curvature and diagonal Born–Oppenheimer correction for molecular systems in uniform magnetic fields
Authors: Culpitt Tanner , Peters Laurens D. M. , Tellgren Erik I. , Helgaker Trygve
Published: January 2022

The diagonal nonadiabatic term arising from the Born–Oppenheimer wave function ansatz contains contributions from a vector and scalar potential. The former is provably zero when the wave function can be taken to be real valued, and the latter, known as the diagonal Born–Oppenheimer correction (DBOC), is typically small in magnitude. Therefore, unless high accuracy is sought, the diagonal nonadiabatic term is usually neglected when calculating molecular properties. In the presence of a magnetic field, the wave function is generally complex, and the geometric vector potential gives rise to a screening force that is qualitatively important for molecular dynamics. This screening force is written in terms of the Berry curvature and is added to the bare Lorentz force acting on the nuclei in the presence of the field. In this work, we derive analytic expressions for the Berry curvature and DBOC using both first- and second-quantization formalisms for the case of generalized and restricted Hartree–Fock theories in a uniform magnetic field. The Berry curvature and DBOC are calculated as a function of the magnetic field strength and the bond distance for the ground-state singlets of H2, LiH, BH, and CH+. We also examine the stability and time-reversal symmetry of the underlying self-consistent field solutions. The character of the DBOC and Berry curvature is found to depend on the magnetic field and varies between molecules. We also identify instances of broken time-reversal symmetry for the dissociation curves of BH and CH+.
Replica permutation with solute tempering for molecular dynamics simulation and its application to the dimerization of amyloid-β fragments
Authors: Fukuhara Daiki , Itoh Satoru G. , Okumura Hisashi
Published: January 2022

We propose the replica permutation with solute tempering (RPST) by combining the replica-permutation method (RPM) and the replica exchange with solute tempering (REST). Temperature permutations are performed among more than two replicas in RPM, whereas temperature exchanges are performed between two replicas in the replica-exchange method (REM). The temperature transition in RPM occurs more efficiently than in REM. In REST, only the temperatures of the solute region, the solute temperatures, are exchanged to reduce the number of replicas compared to REM. Therefore, RPST is expected to be an improved method taking advantage of these methods. For comparison, we applied RPST, REST, RPM, and REM to two amyloid-β(16–22) peptides in explicit water. We calculated the transition ratio and the number of tunneling events in the temperature space and the number of dimerization events of amyloid-β(16–22) peptides. The results indicate that, in RPST, the number of replicas necessary for frequent random walks in the temperature and conformational spaces is reduced compared to the other three methods. In addition, we focused on the dimerization process of amyloid-β(16–22) peptides. The RPST simulation with a relatively small number of replicas shows that the two amyloid-β(16–22) peptides form the intermolecular antiparallel β-bridges due to the hydrophilic side-chain contact between Lys and Glu and hydrophobic side-chain contact between Leu, Val, and Phe, which stabilizes the dimer of the peptides.
Identification of the defect dominating high temperature reverse leakage current in vertical GaN power diodes through deep level transient spectroscopy
Authors: DasGupta S. , Slobodyan O. , Smith T. , Binder A. , Flicker J. , Kaplar R. , Mueller J. , Garcia Rodriguez L. , Atcitty S.
Published: January 2022

Deep level defects in wide bandgap semiconductors, whose response times are in the range of power converter switching times, can have a significant effect on converter efficiency. We use deep level transient spectroscopy (DLTS) to evaluate such defect levels in the n-drift layer of vertical gallium nitride (v-GaN) power diodes with VBD ∼ 1500 V. DLTS reveals three energy levels that are at ∼0.6 eV (highest density), ∼0.27 eV (lowest density), and ∼45 meV (a dopant level) from the conduction band. Dopant extraction from capacitance–voltage measurement tests (C–V) at multiple temperatures enables trap density evaluation, and the ∼0.6 eV trap has a density of 1.2 × 1015 cm−3. The 0.6 eV energy level and its density are similar to a defect that is known to cause current collapse in GaN based surface conducting devices (like high electron mobility transistors). Analysis of reverse bias currents over temperature in the v-GaN diodes indicates a predominant role of the same defect in determining reverse leakage current at high temperatures, reducing switching efficiency.
Nucleation of glucose isomerase protein crystals in a nonclassical disguise: The role of crystalline precursors
Authors: Van Driessche Alexander E. S. , Ling Wai Li , Schoehn Guy , Sleutel Mike
Published: January 2022

Significance

The ability of proteins to self-assemble into complex, hierarchical structures has been the inspiration for the bottom-up design of a class of biomaterials with proteins as their building blocks. The earliest stages of formation often involve the passing of an activation barrier under the form of nucleus formation, a quaternary protein complex that templates incoming molecules to proper registry. For protein crystallization, the consensus has emerged that the fastest route toward a nucleus follows a winding path: first, densification, followed by symmetry formation. In this contribution, we show that this need not be the case for the protein glucose isomerase, which seems to follow the simplest path to a nucleus, making crystalline clusters from the earliest detectable beginnings.
In vitro cell cycle oscillations exhibit a robust and hysteretic response to changes in cytoplasmic density
Authors: Jin Minjun , Tavella Franco , Wang Shiyuan , Yang Qiong
Published: January 2022

Significance

The cytoplasm, where most cellular reactions occur, has a variable density. We currently lack an understanding of how density variations affect cellular functions because of the challenge of controlling it experimentally. Here, we systematically modulate the density of an in vitro cytoplasm using microfluidics and analyze how the cell cycle behaves in turn. We found that mitotic cycles maintain their function across 0.2× to 1.2× of the natural density. Higher densities arrest cell cycles, and dilution recovers oscillations. However, the density at which cycles reappear is lower than the natural density. This behavior suggests a history-dependent mechanism called hysteresis, common in physics, chemistry, and engineering. Our approach paves the way for studying the responses of other processes to density changes.
Distinguishing the molecular diversity, nutrient content, and energetic potential of exometabolomes produced by macroalgae and reef-building corals
Authors: Wegley Kelly Linda , Nelson Craig E. , Petras Daniel , Koester Irina , Quinlan Zachary A. , Arts Milou G.I. , Nothias Louis-Felix , Comstock Jacqueline , White Brandie M. , Hopmans Ellen C. , van Duyl Fleur C. , Carlson Craig A. , Aluwihare Lihini I. , Dorrestein Pieter C. , Haas Andreas F.
Published: January 2022

Significance

Marine dissolved organic matter (DOM) is one of the most complex and abundant chemical mixtures on earth, comprising thousands of different molecules. The molecular structure of these compounds is one factor structuring the community of microorganisms that metabolize them; in turn, this microbial metabolism mediates the composition of DOM. Decades of coral reef research has established the fundamental importance of microbial biogeochemistry in ecosystem function. This study unveils coral reef DOM by identifying a myriad of specific metabolite classes released into the surrounding waters by reef-building corals and algae, further characterizing their energetic and nutrient content and providing a foundation for linking benthic ecology with microbial processes that influence both the livelihood and demise of coral reefs.
Early life lead exposure from private well water increases juvenile delinquency risk among US teens
Authors: Gibson Jacqueline MacDonald , MacDonald John M. , Fisher Michael , Chen Xiwei , Pawlick Aralia , Cook Philip J.
Published: January 2022

Significance

Public health agencies worldwide have determined that there is no safe level for children’s exposure to lead, a neurotoxin. This study shows that lead in drinking water from private wells is significantly associated with juvenile delinquency. Compared to children in homes with public water supplies, those relying on private wells have a 21% higher risk of any delinquency and a 38% increased risk of serious delinquency. The steepest increases in risk occur at the lowest exposure levels. The results highlight the need to prevent lead-leaching from well components, plumbing, and fixtures in the 13% of US households relying on private wells. They also suggest the need to decrease blood and environmental lead thresholds currently used to identify at-risk children.
The NEDD8-activating enzyme inhibitor MLN4924 reduces ischemic brain injury in mice
Authors: Yu Huilin , Luo Haiyu , Chang Luping , Wang Shisheng , Geng Xue , Kang Lijing , Zhong Yi , Cao Yongliang , Wang Ranran , Yang Xing , Zhu Yuanbo , Shi Mei-Juan , Hu Yue , Liu Zhongwang , Yin Xuhui , Ran Yunwei , Yang Hao , Fan Wenying , Zhao Bing-Qiao
Published: January 2022

Blood–brain barrier (BBB) breakdown and inflammation occurring at the BBB have a key, mainly a deleterious role in the pathophysiology of ischemic stroke. Neddylation is a ubiquitylation-like pathway that is critical in various cellular functions by conjugating neuronal precursor cell-expressed developmentally down-regulated protein 8 (NEDD8) to target proteins. However, the roles of neddylation pathway in ischemic stroke remain elusive. Here, we report that NEDD8 conjugation increased during acute phase after ischemic stroke and was present in intravascular and intraparenchymal neutrophils. Inhibition of neddylation by MLN4924, also known as pevonedistat, inactivated cullin-RING E3 ligase (CRL), and reduced brain infarction and improved functional outcomes. MLN4924 treatment induced the accumulation of the CRL substrate neurofibromatosis 1 (NF1). By using virus-mediated NF1 silencing, we show that NF1 knockdown abolished MLN4924-dependent inhibition of neutrophil trafficking. These effects were mediated through activation of endothelial P-selectin and intercellular adhesion molecule-1 (ICAM-1), and blocking antibodies against P-selectin or anti–ICAM-1 antibodies reversed NF1 silencing-induced increase in neutrophil infiltration in MLN4924-treated mice. Furthermore, we found that NF1 silencing blocked MLN4924-afforded BBB protection and neuroprotection through activation of protein kinase C δ (PKCδ), myristoylated alanine-rich C-kinase substrate (MARCKS), and myosin light chain (MLC) in cerebral microvessels after ischemic stroke, and treatment of mice with the PKCδ inhibitor rottlerin reduced this increased BBB permeability. Our study demonstrated that increased neddylation promoted neutrophil trafficking and thus exacerbated injury of the BBB and stroke outcomes. We suggest that the neddylation inhibition may be beneficial in ischemic stroke.
Catalytic role of formaldehyde in particulate matter formation
Authors: Dovrou Eleni , Bates Kelvin H. , Moch Jonathan M. , Mickley Loretta J. , Jacob Daniel J. , Keutsch Frank N.
Published: January 2022

Significance

Particulate matter, often formed via cloud processing, strongly influences the Earth’s climate and air quality. Particle composition depends on anthropogenic and biogenic emissions. Thus, in order to understand climate change, knowledge of the difference between preindustrial and current conditions is critical. Under preindustrial conditions, multifunctional organic hydroperoxides, which are strong oxidants and have the ability to contribute to particulate matter formation, are in higher concentrations in the atmosphere. In this work, we focus on the previously unknown importance of hydroxymethyl hydroperoxide, which can be formed by gas-phase reactions and in-cloud reaction of hydrogen peroxide with the simplest aldehyde, formaldehyde, revealing the catalytic role of formaldehyde, and demonstrate that this chemistry is of great importance for particle formation.
Three small vesicular pools in sequence govern synaptic response dynamics during action potential trains
Authors: Tran Van , Miki Takafumi , Marty Alain
Published: January 2022

Significance

Short-term changes in the strength of synaptic connections underlie many brain functions. The strength of a synapse in response to subsequent stimulation is largely determined by the remaining number of synaptic vesicles available for release. We developed a methodological approach to measure the dynamics of various vesicle pools following synaptic activity. We find that the readily releasable pool, which comprises vesicles that are docked or tethered to release sites, is fed by a small-sized pool containing approximately one to four vesicles per release site at rest. This upstream pool is significantly depleted even after a short stimulation train. Therefore, regulation of the size of the upstream pool emerges as a key factor in determining synaptic strength during and after sustained stimulation.
High-ammonia selective metal–organic framework–derived Co-doped Fe/Fe
2
O
3
catalysts for electrochemical nitrate reduction
Authors: Zhang Shuo , Li Miao , Li Jiacheng , Song Qinan , Liu Xiang
Published: January 2022

Significance

Electrochemical reduction of nitrate pollution in water into value-added ammonium is essential for modern agriculture and industry and represents a potentially sustainable strategy to replace the traditional Haber–Bosch process. However, the nitrate reduction reaction (NO
3
−
RR) process under ambient conditions often suffers from low selectivity. Here, we developed a strategy of tuning an electronic structure for preparing cobalt-doped Fe@Fe
2
O
3
electrocatalysts. Cobalt doping tunes the Fe d-band center, thereby modulating the adsorption energies of intermediates and suppressing hydrogen production. Therefore, the electrocatalysts exhibit superior NO
3
−
RR activity with a high nitrate removal capacity (100.8 mg N g
cat
−1
h
−1
), NH
3
selectivity (99.0 ± 0.1%), and faradaic efficiency (85.2 ± 0.6%). This strategy provides an approach to design advanced materials for NO
3
−
RR.
Conformation and dynamic interactions of the multipartite genome in
Agrobacterium tumefaciens
Authors: Ren Zhongqing , Liao Qin , Karaboja Xheni , Barton Ian S. , Schantz Eli G. , Mejia-Santana Adrian , Fuqua Clay , Wang Xindan
Published: January 2022

Significance

How bacteria with multipartite genomes organize and segregate their DNA is poorly understood. Here, we investigate a prototypical multipartite genome in the plant pathogen
Agrobacterium tumefaciens
. We identify previously unappreciated interreplicon interactions: the four replicons cluster through interactions at their centromeres, and the two chromosomes, one circular and one linear, interact along their replication arms. Our data suggest that these interreplicon contacts play critical roles in the organization and maintenance of multipartite genomes.
A nitroaromatic cathode with an ultrahigh energy density based on six-electron reaction per nitro group for lithium batteries
Authors: Chen Zifeng , Su Hai , Sun Pengfei , Bai Panxing , Yang Jixing , Li Mengjie , Deng Yunfeng , Liu Yang , Geng Yanhou , Xu Yunhua
Published: January 2022

Significance

Organic electrode materials have shown great potential in lithium batteries in terms of easy synthesis, raw materials abundance, and environmental friendliness. However, the traditional organic electrodes typically experience single-electron reaction per active group, leading to limited specific capacities and energy densities. Herein, we report a battery chemistry of a nitroaromatic cathode, in which six-electron transfer occurs on each nitro group, resulting in an ultrahigh specific capacity and energy density, higher than all existing organic electrode materials and even most inorganic electrode materials.
(Re)conceptualizing “Language” in CLIL
Authors: Liu Jiajia Eve , Lin Angel M. Y.
Published: January 2022

CLIL focuses on the integration of content learning and additional language learning. However, it is increasingly recognized that the re/presentation and communication of discipline-specific content involve not only language, but also other semiotic modes (such as visuals and gestures). This is accelerated by the advancement of digital technologies and multiplicity of communication channels in recent years. This article points out the urgent need to revisit and reconceptualize the roles of “language” in CLIL. It argues that, to prepare students for the multimodal communication landscape in today’s societies and to truly value their linguistic and semiotic diversity in learning, the “language” dimension in CLIL needs to be reconceptualized as a multimodal dimension, and CLIL classroom practices need to adopt an updated pedagogy of multiliteracies (New London Group, 1996) rather than focusing on “mere language” practice. The article reviews the recent development of theories and studies of multimodality and trans-semiotics and discusses their implications for what to teach and how to teach in today’s CLIL classrooms. It proposes the notions of translanguaging and trans-semiotizing to emphasize a dynamic and dialogic process of meaning (co)making process drawing on multiple linguistic and semiotic resources to enable students to both gain access to and critically engage in meaning/knowledge co-making/co-design. Ultimately, it aims at reconceiving CLIL to contribute to a more equitable school and classroom culture.
Second language acquisition of evidentiality in French and English in a narrative task
Authors: Leclercq Pascale , Mélac Eric
Published: January 2022

Evidentiality, i.e. the linguistic encoding of the mode of access to information (direct perception, inference, hearsay), despite not being fully grammaticalized in English and French, is expressed through a variety of means. This paper seeks to determine how a relatively non-salient concept in the source and target languages can be acquired by L2 learners. Using an oral elicited narrative task, we determine what markers of direct perception and inference are commonly used by native speakers of French (n = 10) and English (n = 10) and L2 learners of those two languages (at three levels of proficiency,n = 10 per group), and at which level they emerge. Our results point to a much more frequent use of inferential markers than direct perception markers, to slightly different patterns of evidential marking in French and in English, and to a late emergence of evidential markers in the speech of learners, who display sensitivity to their discursive functions, with types and tokens increasing as a function of proficiency level.
Nominal determination in Moroccan Arabic
Authors: Maas Utz , Procházka Stephan
Published: January 2022

Many studies on Moroccan Arabic presuppose the existence of a determination system organized along the lines of definiteness and indefiniteness. Hence, they postulate a ‘definite article’ with the form /l-/ and an ‘indefinite article’ as its counterpart in the form /waħd.l-/.

This study shows that the so-called ‘definite article’ /l-/ is actually a general referential marker that mainly marks a noun as [−predicative]. The marker /l-/ and its augmented forms are specific and allow different readings ranging from anaphoric definiteness to specific indefiniteness. The marker /waħd.l-/ is less an ‘indefinite article’ but marks ‘mirativity’, i.e. pragmatic salience. Thus it often has a cataphoric function. Demonstratives are used in deictic function but also to evoke an already existing knowledge in the hearer. The system is extended by the referential marker /ʃi-/ restricted to mark non-specific items. The complexity of nominal determination is partly the result of the juxtaposition of typically Moroccan linguistic innovations and retentions of “common Arabic” structures.
A Bridge Too Far? Distance to Waivered Physicians and Utilization of Buprenorphine Treatment for Opioid use Disorder in West Virginia Medicaid
Authors: Saloner Brendan , Landis Rachel K. , Jayakrishnan Ritujith , Stein Bradley D. , Barry Colleen L.
Published: January 2022

Background: Travel distance to medication treatment for opioid use disorder (OUD) is a challenge for many patients, but little is known about how distance is associated with medication treatment utilization. This study examines the association between distance to the nearest physician waivered to prescribe buprenorphine and patient-level buprenorphine treatment among West Virginia Medicaid expansion enrollees with diagnosed OUD. Methods: We conducted a cross-sectional spatial analysis with 2016 Medicaid claims data, separately examining individuals living in metropolitan and non-metropolitan areas. We calculated the driving distance from the centroid of patients’ residential ZIP codes to the street address of the nearest waivered physician derived from the 2015 Drug Enforcement Administration listing. Regression models examined the association between distance and initiation and duration of buprenorphine (among those initiating). Results: We focused on 8,008 individuals with OUD in 2016. The nearest waivered prescriber in metropolitan areas was an average of 7.13 miles away from patients’ residential ZIP codes and 14.54 miles in non-metropolitan areas. The providers they actually visited were a mean of 33.63 miles away in metro areas and 46.36 in non-metropolitan areas. In multivariable analyses, compared to those living <10 miles from a waivered physician, living >20 miles from a waivered physician was associated with −32.13 fewer days of treatment (95% CI: −57.86, −6.40) in metro areas and −16.70 fewer days in non-metro areas (95% CI: −32.32, −1.08). Conclusions: Longer travel distance to buprenorphine treatment is associated with a shorter duration of care that is likely to be clinically meaningful.
Clinical and Demographic Differences in the Willingness to use Self-Administered At-Home COVID-19 Testing Measures among Persons with Opioid use Disorder
Authors: Mistler Colleen B. , Sullivan Matthew , Wickersham Jeffrey A. , Copenhaver Michael M. , Shrestha Roman
Published: January 2022

Background: COVID-19 is disproportionately affecting disadvantaged populations, including persons with opioid use disorder (OUD). Persons with OUD are at greater risk for direct (e.g., COVID-19 diagnosis, severe symptoms) and indirect consequences (relapse, overdose) of COVID-19. Given stay at home orders, at-home testing options may serve as a viable tool to curb the increase in COVID-19 transmission and adverse effects of COVID-19. Methods: From May to September 2020, we surveyed 110 persons in treatment for OUD about their willingness to use various self-administered at-home COVID-19 testing measures. Participants were stratified by age, gender, and racial-ethnic identity to observe differences in willingness to use COVID-19 tests. The three COVID-19 tests included a throat swab sample, a saliva-based sample, and a blood prick test. Results: A high willingness to use at-home COVID-19 tests was observed in patients in treatment for OUD. A greater proportion of females were willing to use a saliva-based test; greater proportions of White participants were willing to use a saliva based COVID-19 test compared to racial-ethnic minorities. Older aged participants (≥45 years old) reported greater rates of willingness to use a self-administered at home blood prick test for COVID-19. Conclusions: At-home testing measures for COVID-19 appear highly acceptable among people with OUD.
Perspectives among Women Receiving Medications for Opioid use Disorder: Implications for Development of a Peer Navigation Intervention to Improve Access to Family Planning Services
Authors: Stowell Melanie A. , Thomas-Gale Tara , Jones Hendrée E. , Binswanger Ingrid , Rinehart Deborah J.
Published: January 2022

Background Studies have consistently found high rates of unintended pregnancy among women with opioid use disorder (OUD). Few interventions have been developed to specifically engage and address the family planning (FP) needs of women in substance use disorder treatment. Objectives: Our goal was to collect formative qualitative data to identify the FP experiences, needs and service preferences of women receiving medications for OUD and to use these data to develop a FP education and navigation intervention that could be tested in diverse, resource-limited treatment settings. Methods: From August 2016 to April 2017, we conducted 21 guided qualitative interviews with women from two outpatient treatment clinics in Denver, Colorado. We recorded, transcribed, and coded all interviews. We then facilitated three focus groups ( n = 16) from May to July 2017 to verify or challenge interview themes and to further inform the development of the FP intervention. Results: Most participants expressed ambivalence or low perceived risk regarding unintended pregnancy and desired more information about contraceptive methods. Many participants described mistrust or lack of engagement in the medical system and histories of trauma were a common barrier to seeking services. Focus group participants endorsed a peer-led FP navigation intervention and provided feedback to tailor existing FP educational materials to fit the specific needs of women in recovery. Conclusions/Importance: Results from this qualitative study suggest that women in recovery from OUD have unique, unmet FP education and service needs. These findings provide important information for the development of feasible and acceptable FP service delivery within diverse, resource-limited treatment settings and informed the development of a trauma-informed, peer-led FP education and navigation intervention that would be implemented in a subsequent phase of the study.