bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, structural studies, and photophysical properties of heteroleptic inverse-coordination clusters
Authors: Huang Guan-Rong , Silalahi Rhone P. Brocha , Liao Jian-Hong , Chiu Tzu-Hao , Liu C. W.
Published: September 2022

By considering all 24 adjacent M⋯M distances of the cuboctahedral framework, substitution of an inverse coordination halide (Cl, Br, and I) has influenced the size of the cuboctahedral M12framework.
Expanding the series of alkali metal plumbolyl complexes to Na and K
Authors: Diaz-Rodriguez Roberto M. , Kitos Alexandros A. , Murugesu Muralee
Published: September 2022

Herein we detail the straightforward and scalable synthesis of sodium and potassium complexes of the 2,5-bis(tert-butyldimethylsilyl)-3,4-diphenylplumbolyl dianion (PblTBS,Ph).
Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities
Authors: Mozaceanu Cristina , Solea Atena B. , Taylor Christopher G. P. , Sudittapong Burin , Ward Michael D.
Published: September 2022

The three dicyanobenzene isomers have obvious similarities but differ in their dipole moment: effects on binding in a coordination cage host in different solvents are discussed.
A new theoretical investigation on ·OH initiated oxidation of acephate in the environment: mechanism, kinetics, and toxicity
Authors: Zhao Hui , Wang Shuangjun , Sun Jingyu , Lu Chenggang , Tang Yizhen
Published: September 2022

The degradation of acephate by OH radicals in the environment.
Carbon nanomaterial-based membranes for water and wastewater treatment under electrochemical assistance
Authors: Fan Xinfei , Wei Gaoliang , Quan Xie
Published: September 2022

Carbon nanomaterial-based membranes exhibit fascinating permselectivity for water and wastewater treatment, and their performance could be further improved under electrochemical assistance, benefiting from their good electrical conductivity.
Differentiating chemical and electrochemical degradation of lithium germanium thiophosphate and the role of atomic layer deposited protection layers
Authors: Wang Yang , Klueter Sam , Lee Myungsuk , Yun Junnyeong , Hoang Binh , Kallon Elias , Lee Cholho , Lin Chuan-Fu , Rubloff Gary W. , Lee Sang Bok , Kozen Alexander C.
Published: September 2022

Pressed LGPS pellets after cycling in contact with Li metal. 20 nm of ALD LiPON deposited directly onto the LGPS allows longer cycling lifetimes (in this case, 90 cycles) at reduced overpotential than bare LGPS, which fails at 64 cycles.
Euphorbiaditerpenoids: isolation, structure, bioactivity, biosynthesis, and synthesis (2013–2021)
Authors: Zhan Zha-jun , Li Shen , Chu Wang , Yin Sheng
Published: September 2022

This review covers the recent progress on the isolation, identification, bioactivity, biosynthesis, and total synthesis ofEuphorbiaditerpenoids from 2013 to 2021.
An electrochemical tandem Michael addition, azidation and intramolecular cyclization strategy for the synthesis of imidazole derivatives
Authors: Zhou Kai , Xia Shendan , Liu Yanming , Chen Zhiwei
Published: September 2022

An electrochemical-oxidation-induced intramolecular annulation for the synthesis of imidazole was developed under undivided electrolytic conditions. Amines, alkynes and azides participated in the transformation to furnish a variety of substituted imidazoles.
Ru nanoclusters confined on α/β cobalt hydroxide nanosheets as efficient bifunctional oxygen electrocatalysts for Zn–air batteries
Authors: Zhang Yu , Hu Ting , Ke Changwang , Han Fengyan , Xiao Weiping , Yang Xiaofei
Published: September 2022

Ru nanoclusters anchored on the α/β-Co(OH)2 nanostructures could yield bifunctional catalysts, which displayed high power density and long-cycling performance when used as the air electrode in practical Zn-air battery.
Correction: Unveiling concentration effects on the structural and optoelectronic characteristics of Zn1−xCdxS (x = 0, 0.25, 0.50, 0.75, 1) cubic semiconductors: a theoretical study
Authors: Aamir Iqbal Muhammad , Malik Maria , Zahid Abu , Rasidul Islam Md. , Arellano-Ramírez Iván D. , Al-Bahrani Mohammed
Published: September 2022

Correction for ‘Unveiling concentration effects on the structural and optoelectronic characteristics of Zn1−xCdxS (x = 0, 0.25, 0.50, 0.75, 1) cubic semiconductors: a theoretical study’ by Muhammad Aamir Iqbal et al., RSC Adv., 2022, 12, 22783–22791, https://doi.org/10.1039/D2RA03850A.
Novel approach for low CO2 intensity hydrogen production from natural gas
Authors: Straus Julian , Skjervold Vidar Torarin , Anantharaman Rahul , Berstad David
Published: September 2022

A reforming process for increased energy efficiency and CO2 capture rate through material recycling and CO2 liquefaction as separation technology.
“Uncapped” metal–organic framework (MOF) dispersions driven by O2 plasma towards superior oxygen evolution electrocatalysis
Authors: Ding Shan , Zhang Yuxiang , Lou Fengqian , Aslam Muhammad Kashif , Sun Yuntong , Li Ming , Duan Jingjing , Li Yibing , Chen Sheng
Published: September 2022

Aqueous dispersions of metal–organic frameworks (MOFs) are formed by tuning their self-contained oxygen percentages driven by O2 plasma leading to a class of “uncapped” MOFs for many applications such as oxygen evolution reaction.
A single-component white-light-emitting fluorescent material with high color rendering index based on resonance energy transfer
Authors: Xie Ci’an , Wang Zekun , Yu Haojun , Yang Juyu , Liu Yan-gai , Mei Lefu
Published: September 2022

Single-component white-light-emitting phosphors based on resonance energy transfer exhibit ultra-high Ra and appropriate CCT.
High electrical conductivity and π–π stacking interface design for tunable electromagnetic wave absorption composite foams
Authors: Jiang Wen-Hong , Jiang Bo , Yang Jian , Wang Ming Qiang , Li Ying
Published: September 2022

The pyrolysis of PDA offered a mild synthesis method to optimize the conductivity and interface force of the CNT–Fe3O4 conductive network. The electromagnetic absorption bandwidth of RTFs can reach 8.32 GHz.
Negative magnetoresistance in different nitrogen content EuNbO3−xNx single-crystalline thin films
Authors: Maruyama Takahiro , Hirose Yasushi , Katayama Tsukasa , Sugisawa Yuki , Sekiba Daiichiro , Hasegawa Tetsuya , Chikamatsu Akira
Published: September 2022

In EuNbO3−xNx single-crystalline thin films, the transport properties gradually changed from metallic to semiconducting and the negative magnetoresistance at 2 K increased from 15% to 98% with x.
High hole mobilities in two dimensional monolayer MSi2Z4 (M = Mo/W; Z = P, As, Sb) for solar cells
Authors: Qiu Xia , Xu Wangping , Kong Weixiang , Xiao Xiaoliang , Wang Rui , Fan Jing , Wu Xiaozhi
Published: September 2022

Two new α1-phase monolayers (MoSi2Sb4 and WSi2Sb4) and a new family α2-phase monolayer MSi2Z4 (M = Mo, W; Z = P, As, Sb) was proposed by first-principles calculations.
Introduction to the themed collections in memoriam of Prof. Richard T. Williams (May 27, 1946–July 5, 2021)
Authors: Jurchescu Oana D. , Wolszczak Weronika , Burger Arnold , Bourret-Courchesne Edith , Dorenbos Pieter
Published: September 2022

Professor Jurchescu, Dr. Wolszczak, Professor Burger, Dr. Bourret-Courchesne, and Professor Dorenbos introduce the Journal of Materials Chemistry C–Materials Advances themed collection in memoriam of Prof. Richard T. Williams.
Molecular characterization of transesterification activity of novel lipase family I.1
Authors: Haryati Titin , Widhiastuty Made Puspasari , Warganegara Fida Madayanti , Akhmaloka Akhmaloka
Published: September 2022

Lipase’s thermostability and organic solvent tolerance are two crucial properties that enable it to function as a biocatalyst. The present study examined the characteristics of two recombinant thermostable lipases (Lk2, Lk3) based on transesterification activity. Conversion of C12-C18 methyl ester with paranitrophenol was investigated in various organic solvent. Both lipases exhibited activity on difference carbon chain length (C12 - C18, C18:1, C18:2) of substrates. The activity of Lk2 was higher in each of substrate compared with that of Lk3. Experimental findings showed that the best substrates for Lk2 and Lk3 are C18:1 and C18:2 respectively, in agreement with the computational analysis. The activity of both enzymes prefers on nonpolar solvent. On nonpolar solvent the enzymes are able to keep its native folding shown by the value of radius gyration, solvent–enzyme interaction and orientation of triad catalytic residues. Lk3 appeared to be more thermostable, with maximum activity at 55°C. The presence of Fe3+ increased the activity of Lk2 and Lk3. However, the activity of both enzymes were dramatically decreased by the present of Ca2+ despite of the enzymes belong to family I.1 lipase known as calcium dependent enzyme. Molecular analysis on His loop of Lk2 and Lk3 on the present of Ca2+ showed that there were shifting on the orientation of catalytic triad residues. All the data suggest that Lk2 and Lk3 are novel lipase on the family I.1 and both lipase available as a biocatalyst candidate.
Protective HLA-B57: T cell and natural killer cell recognition in HIV infection
Authors: Lobos Christian A. , Downing Jonathan , D'Orsogna Lloyd J. , Chatzileontiadou Demetra S.M. , Gras Stephanie
Published: September 2022

Understanding the basis of the immune determinants controlling disease outcome is critical to provide better care to patients and could be exploited for therapeutics and vaccine design. The discovery of the human immunodeficiency virus (HIV) virus as the causing agent of acquired immunodeficiency syndrome (AIDS) decades ago, led to a tremendous amount of research. Among the findings, it was discovered that some rare HIV+ individuals, called HIV controllers (HICs), had the ability to control the virus and keep a low viral load without the need of treatment. This ability allows HICs to delay or avoid progression to AIDS. HIV control is strongly associated with the expression of human leukocyte antigen (HLA) alleles in HICs. From the HIV protective HLAs described, HLA-B57 is the most frequent in HIC patients. HLA-B57 can present a large range of highly conserved Gag-derived HIV peptides to CD8+ T cells and natural killer (NK) cells, both the focus of this review. So far there are limited differences in the immune response strength, magnitude, or receptor repertoire towards HIV epitopes that could explain viral control in HICs. Interestingly, some studies revealed that during early infection the large breadth of the immune response towards HIV mutants in HLA-B57+ HIC patients, might in turn influence the disease outcome.
The impact of dynamic pressure bumps on the observational properties of protoplanetary disks
Authors: Stadler Jochen , Gárate Matías , Pinilla Paola , Lenz Christian , Dullemond Cornelis P. , Birnstiel Til , Stammler Sebastian M.
Published: September 2022

Context. Over the last years, large (sub-)millimetre surveys of protoplanetary disks in different star forming regions have well constrained the demographics of disks, such as their millimetre luminosities, spectral indices, and disk radii. Additionally, several high-resolution observations have revealed an abundance of substructures in the disk’s dust continuum. The most prominent are ring like structures, which are likely caused by pressure bumps trapping dust particles. The origins and characteristics of these pressure bumps, nevertheless, need to be further investigated.

Aims. The purpose of this work is to study how dynamic pressure bumps affect observational properties of protoplanetary disks. We further aim to differentiate between the planetary- versus zonal flow-origin of pressure bumps.

Methods. We perform one-dimensional gas and dust evolution simulations, setting up models with varying pressure bump features, including their amplitude and location, growth time, and number of bumps. We subsequently run radiative transfer calculations to obtain synthetic images, from which we obtain the different quantities of observations.

Results. We find that the outermost pressure bump determines the disk’s dust size across different millimetre wavelengths and confirm that the observed dust masses of disks with optically thick inner bumps (<40 au) are underestimated by up to an order of magnitude. Our modelled dust traps need to form early (<0.1 Myr), fast (on viscous timescales), and must be long lived (>Myr) to obtain the observed high millimetre luminosities and low spectral indices of disks. While the planetary bump models can reproduce these observables irrespectively of the opacity prescription, the highest opacities are needed for the dynamic bump model, which mimics zonal flows in disks, to be in line with observations.

Conclusions. Our findings favour the planetary- over the zonal flow-origin of pressure bumps and support the idea that planet formation already occurs in early class 0–1 stages of circumstellar disks. The determination of the disk’s effective size through its outermost pressure bump also delivers a possible answer to why disks in recent low-resolution surveys appear to have the same sizes across different millimetre wavelengths.
Star–planet interaction
Authors: Fischer C. , Saur J.
Published: September 2022

Context. Electromagnetic star-planet interaction (SPI) describes the phenomenon of a planet coupling to its host star via electromagnetic forces. Alfvén waves can establish such a coupling by forming Alfvén wings. Star-planet interaction allows for phenomena that we do not otherwise know from the Solar System. Wing-wing interaction is such an example, whereby the Alfvén wings of two planets merge and interact in a nonlinear way.

Aims. In this paper, we focus on the effects that SPI has on other planets and the stellar wind. First, we analyze the different wave structures connected to SPI and then we investigate the wing-wing interaction.

Methods. Our study applies a magnetohydrodynamic model to describe a stellar system with multiple possible planets. As an example, we chose TRAPPIST-1 and its two innermost planets. We extended the PLUTO code to simulate collisions between atmospheric neutral particles and plasma ions. Neutral gas clouds imitate the planets and move through the simulation domain. That allows for the simulation of fully time-dependent stellar systems.

Results. We analyzed the wave structures that result from the interaction between stellar wind and TRAPPIST-1 b. The resultant wave structure propagating inward is an Alfvén wing. The outwardly directed part of the interaction consists of an Alfvén wing, slow mode waves, the planetary wake, and a slow shock. We quantified the strength of the respective wave perturbations at the outer planets to be on the order of 10% to 40% of the local background values of thermal, magnetic, and dynamic pressure. Wing-wing interaction occurs due to the relative position of two planets during their conjunction and shows three phases. First there is an initial, nonlinear intensification of the Poynting flux by 20%, an intermediate phase with reduced Poynting flux, followed by a third phase when the Alfvén wing of planet c goes through planet b’s wave structures with another intensification phase of the Poynting flux.
The transition from soluble to insoluble organic matter in interstellar ice analogs and meteorites
Authors: Danger Grégoire , Ruf Alexander , Javelle Thomas , Maillard Julien , Vinogradoff Vassilissa , Afonso Carlos , Schmitz-Afonso Isabelle , Remusat Laurent , Gabelica Zelimir , Schmitt-Kopplin Philippe
Published: September 2022

Context. Carbonaceous chondrites are sources of information on the origin of the Solar System. Their organic content is conventionally classified as soluble (SOM) and insoluble organic matter (IOM), where the latter represents the majority.

Aims. In this work, our objectives are to identify possible relations between soluble and insoluble organic matter generated in laboratory experiments and to extrapolate the laboratory analog findings to soluble and insoluble organic matter of meteorites to test their connection.

Methods. Using laboratory experiments, processes possibly linking IOM analog (IOMA) to SOM analog (SOMA) precursors are investigated by assuming that dense molecular ices are one of the sources of organic matter in the Solar System. Each organic fraction is analyzed by laser desorption coupled to a Fourier transform ion cyclotron resonance mass spectrometer on a comprehensive basis.

Results. SOMA and IOMA significantly differ in their chemical fingerprints, and particularly in their aromaticity, O/C, and N/C elemental ratios. Using an innovative molecular network, the SOMA–IOMA transition was tested, revealing connection between both classes. This new network suggests that IOMA is formed in two steps: a first generation IOMA based on precursors from SOMA, while a second IOMA generation is formed by altering the first IOMA generation. Finally, using the same analytical technique, the molecular content of IOMA and that of the Paris IOM are compared, showing their molecular similarities for the first time. The molecular network application to the Paris SOM and IOM demonstrates that a possible connection related to photochemical ice processing is present, but that the overall history of IOM formation in meteorites is much more complex and might have been affected by additional factors (e.g., aqueous alteration).

Conclusions. Our approach provides a new way to analyze the organic fraction of extraterrestrial material, giving new insights into the evolution of organic matter in the Solar System.
Breaking the rules at z ≃ 0.45: The rebel case of RBS 1055
Authors: Marinucci A. , Vietri G. , Piconcelli E. , Bianchi S. , Guainazzi M. , Lanzuisi G. , Stern D. , Vignali C.
Published: September 2022

Context. Very luminous quasars are unique sources for studying the circumnuclear environment around supermassive black holes. Several components contribute to the overall X-ray spectral shape of active galactic nuclei (AGN). The hot (kTe = 50 − 100 keV) and warm (kTe = 0.1 − 1 keV) coronae are responsible for the hard and soft power-law continua, while the circumnuclear toroidal reflector accounts for the Fe Kα emission line and the associated Compton hump. However, all these spectral features are simultaneously observed only in a handful of sources above z ≃ 0.1.

Aims. An ideal astrophysical laboratory for this investigation is the quasar RBS 1055, at z ≃ 0.45. With a luminosity L2 − 10 keV = 2 × 1045 erg s−1, it is the brightest radio-quiet quasar from the ROSAT Bright Survey. Despite the known anti-correlation between the equivalent width (EW) of the narrow neutral Fe Kα line and L2 − 10 keV, an intense Fe Kα was previously detected for this source.

Methods. We report findings based on a long (250 ks) NuSTAR observation performed in March 2021 and archival XMM-Newton pointings (185 ks) taken in July 2014. We also analyzed an optical spectrum of the source taken with the Double Spectrograph at the Palomar Observatory quasi-simultaneously to the NuSTAR observations.

Results. We find that the two-corona model, in which a warm and hot corona coexist, well reproduces the broad band spectrum of RBS 1055, with temperatures kTe = 0.12−0.03+0.08 keV, kTe = 30−10+40 keV and Thomson optical depths τ = 30−10+15 and τ = 3.0−1.4+1.0 for the former and the latter component, respectively. We confirm the presence of an intense Fe Kα emission line (EW = 55 ± 6 eV) and find, when a toroidal model is considered for reproducing the Compton reflection, a Compton-thin solution with NH = (3.2−0.8+0.9) × 1023 cm−2 for the circumnuclear reflector. A detailed analysis of the optical spectrum reveals a likely peculiar configuration of our line of sight with respect to the nucleus, and the presence of a broad [O III] component tracing outflows in the Narrow Line Region, with a velocity shift v = 1500 ± 100 km s−1, leading to a mass outflow rate Ṁout = 25.4 ±1.5 M⊙ yr−1 and outflow kinetic power normalized by the bolometric luminosity Ēkin/LBol ∼ 0.33%. We estimate the BH mass to be in the range 2.8 × 108–1.2 × 109 M⊙, according to different broad line region emission lines, with an average value of ⟨MBH⟩ = 6.5 × 108 M⊙.

Conclusions. With an Fe Kα that is 3σ above the value predicted from the EW–L2 − 10 keV relation and an extreme source brightness at 2 keV (a factor 10−15 higher than the one expected from the optical/UV), we can confirm that RBS 1055 is an outlier in the X-rays compared to other objects in the same luminosity and redshift range.
The statistical properties of early-type stars from LAMOST DR8
Authors: Guo Yanjun , Liu Chao , Wang Luqian , Wang Jinliang , Zhang Bo , Ji Kaifan , Han ZhanWen , Chen XueFei
Published: September 2022

Context. Massive binary stars play a crucial role in many astrophysical fields. Investigating the statistical properties of massive binary stars is essential to trace the formation of massive stars and constrain the evolution of stellar populations. However, no consensus has been achieved on the statistical properties of massive binary stars, mainly due to the lack of a large and homogeneous sample of spectroscopic observations.

Aims. We study the intrinsic binary fraction fbin and distributions of mass ratio f(q) and orbital period f(P) of early-type stars (comprised of O-, B-, and A-type stars) and investigate their dependences on effective temperature Teff, stellar metallicity [M/H], and the projection velocity vsini, based on the homogeneous spectroscopic sample from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) Data Release Eight (DR8).

Methods. We collected 886 early-type stars, each with more than six observations from the LAMOST DR8, and divided the sample into subgroups based on their derived effective temperature (Teff), metallicity ([M/H]), and projected rotational velocity (vsini). Radial velocity measurements were archived from a prior study. A set of Monte Carlo simulations, following distributions of f(P)∝Pπ and f(q)∝qγ were applied to the observed binary fraction to correct for any observational biases. The uncertainties of the derived results induced by the sample size and observation frequency are examined systematically.

Results. We found that fbin increases with increasing Teff. For stars in groups of B8-A, B4-B7, O-B3, the binary fractions are fbin = 48% ± 10%, 60%±10%, and 76%±10%, respectively. The binary fraction is positively correlated with metallicity for spectra in the sample, with derived values of fbin = 44% ± 10%, 60%±10%, and 72%±10% for spectra with metallicity ranges of [M/H] < −0.55, −0.55 ≤ [M/H] < −0.1, to [M/H] ≥ −0.1. Over all the vsini values we considered, the fbin have constant values of ∼50%. It seems that the binary population is relatively evenly distributed over a wide range of vsini values, while the whole sample shows that most of the stars are concentrated at low values of vsini (probably from strong wind and magnetic braking of single massive stars) and at high values of vsini (likely from the merging of binary stars). Stellar evolution and binary interaction may be partly responsible for this. In the case of samples with more than six observations, we derived π = −0.9 ± 0.35, −0.9 ± 0.35, and −0.9 ± 0.35, and γ = −1.9 ± 0.9, −1.1 ± 0.9, and −2 ± 0.9 for stars of types O-B3, B4-B7, and B8-A, respectively. There are no correlations found between π(γ) and Teff, nor for π(γ) and [M/H]. The uncertainties of the distribution decrease toward a larger sample size with higher observational cadence.
The Development and Validation of Artificial Intelligence Pediatric Appendicitis Decision-Tree for Children 0 to 12 Years Old
Authors: Shikha Anas , Kasem Asem
Published: September 2022

Introduction Diagnosing appendicitis in young children (0–12 years) still poses a special difficulty despite the advent of radiological investigations. Few scoring models have evolved and been applied worldwide, but with significant fluctuations in accuracy upon validation.

Aim To utilize artificial intelligence (AI) techniques to develop and validate a diagnostic model based on clinical and laboratory parameters only (without imaging), in addition to prospective validation to confirm the findings.

Methods In Stage-I, observational data of children (0–12 years), referred for acute appendicitis (March 1, 2016–February 28, 2019, n = 166), was used for model development and evaluation using 10-fold cross-validation (XV) technique to simulate a prospective validation. In Stage-II, prospective validation of the model and the XV estimates were performed (March 1, 2019–November 30, 2021, n = 139).

Results The developed model, AI Pediatric Appendicitis Decision-tree (AiPAD), is both accurate and explainable, with an XV estimation of average accuracy to be 93.5% ± 5.8 (91.4% positive predictive value [PPV] and 94.8% negative predictive value [NPV]). Prospective validation revealed that the model was indeed accurate and close to the XV evaluations, with an overall accuracy of 97.1% (96.7% PPV and 97.4% NPV).

Conclusion The AiPAD is validated, highly accurate, easy to comprehend, and offers an invaluable tool to use in diagnosing appendicitis in children without the need for imaging. Ultimately, this would lead to significant practical benefits, improved outcomes, and reduced costs.
Is the Gestational Weight Gain Recommended by the National Academy of Medicine Guidelines Suitable for Chinese Twin-Pregnant Women with Gestational Diabetes Mellitus?
Authors: Dai Jiamiao , Fan Xiaoxiao , He Jing , Tian Ruixue , Xu Jingqi , Song Jiayang , Chen Xiangxu , Han Lu , Chen Yanlin , Peng Li , Cao Qiongya , Bai Jinbing , Chen Zhen , Liu Yanqun , Zou Zhijie , Chen Xiaoli
Published: September 2022

Objectives This study aimed to assess the applicability of the National Academy of Medicine (NAM) interim guidelines for twin pregnancies to the specific population of gestational diabetes mellitus by exploring the relationship between gestational weight gain and adverse pregnancy outcomes in Chinese twin-pregnant women with gestational diabetes mellitus.

Study Design This was a retrospective cohort study of women diagnosed with diabetes in pregnancy between July 2017 and December 2020 at the Maternal and Child Health Hospital in Chongqing, China. The primary variable of interest was maternal total gestational weight gain. The primary outcomes were perinatal outcomes, which included: preeclampsia, small for gestational age, large for gestational age, low birth weight, neonatal pneumonia, neonatal respiratory distress syndrome, and neonatal intensive unit admission, etc. The association between inappropriate gestational weight gain and adverse pregnancy outcomes was estimated using multiple logistic regression analysis.

Results A total of 455 twin-pregnant women who had gestational diabetes mellitus were analyzed. Women with low gestational weight gain had reduced risk of preeclampsia (adjusted odds ratio [aOR], 0.32; 95% CI or confidence interval, 0.17–0.63; p = 0.001) and their infants had higher risks of small for gestational age (aOR, 1.93; 95% CI, 1.04–3.58; p = 0.037), low birth weight (aOR, 2.27; 95% CI, 1.32–3.90; p = 0.003), neonatal intensive unit admission (aOR, 3.29; 95% CI, 1.10–5.78; p = 0.038), pneumonia (aOR, 2.41; 95% CI, 1.08–5.33; p = 0.031), and neonatal respiratory distress syndrome (aOR, 2.29; 95% CI, 1.10–4.78; p = 0.027); the infants of women with excessive gestational weight gain had a higher risk of large for gestational age (aOR, 3.76; 95% CI, 1.42–9.96; p = 0.008).

Conclusion Gestational weight gain controlled within the range recommended by the NAM could reduce the risk of perinatal adverse outcomes. The 2009 NAM gestational weight gain recommendations can be used for Chinese twin-pregnant women with gestational diabetes mellitus.

Key Points
Cyberbullying and cybervictimization on digital media platforms: the role of demographic variables and parental mediation strategies
Authors: Aljasir Shuaa A. , Alsebaei Maisoon O.
Published: September 2022

This study aimed to investigate adolescents’ perspectives on different parental mediation strategies in adolescent cyberbullying and cybervictimization. It also investigated the roles of the adolescent’s age and gender as moderators. An online survey was conducted among 387 Saudi adolescents aged 12–17 years. The results show that decreases in active, restrictive, internet safety, and monitoring strategies were significantly associated with increases in cyberbullying. However, only restrictive and internet safety strategies were significant contributors to cybervictimization, both of which followed the same pattern of a negative relationship between the mediation strategy and cybervictimization. Furthermore, the internet safety strategy had a significant three-way interaction with age and gender in associating with cyberbullying, while the restrictive strategy had a significant three-way interaction with age and gender in associating with cybervictimization.
A pilot study: the impact of clinic-provided transportation on missed clinic visits and system costs among teenage mother–child dyads
Authors: Allan-Blitz Lao-Tzu , Samad Aaida , Homsley Kenya , Ferguson Sojourna , Vais Simone , Nagin Perry , Joseph Natalie
Published: September 2022

Transportation insecurity has profound impacts on the health and wellbeing of teenage parents and their children, who are at particularly high risk for missed clinic visits. In other settings, clinic-offered rideshare interventions have reduced the rates of missed visits. We conducted a one-arm pre-post time series analysis of missed visits before and after a pilot study rideshare intervention within a clinic specializing in the care of teenage parents and their children. We compared the number of missed visits during the study with the number during the preceding year (July 2019–March 2020), as well as the cost difference of missed visits, adjusting for inflation and clinic census. Of 153 rides scheduled, 106 (69.3%) were completed. Twenty-nine (29.9%) of 97 clinic visits were missed during the study period, compared to 145 (32.7%) of 443 comparison period visits (p-value = 0.59). The estimated cost difference of missed visits including intervention costs was a net savings of $90,830.32. However, the standardized cost difference was a net excess of $6.90 per clinic visit. We found no difference in rates of missed visits or costs, though likely impacted by the low census during the SARS-CoV-2 pandemic. Given the potential to improve health disparities exacerbated by the pandemic, further research is warranted into the impact and utility of clinic-offered rideshare interventions.
Influence of anharmonic current-phase relation on the time resolution of Josephson balanced comparator
Authors: Askerzade I. N. , Ulku I.
Published: September 2022

In this study, we carried out the analysis of the resolution time of Josephson junction (JJ) balanced comparators with anharmonic current-phase relation (CPR). An expression for the time resolution was obtained in the case of linearly growing strobe current pulse driven via the junction. It is shown that the resolution time of balanced comparators is improved by the renormalized critical current of JJ with anharmonic CPR.
Compensation points in the lattice of semiconductor nanotubes
Authors: Babanli A. M.
Published: September 2022

In the present work, we investigated the thermodynamic properties of the lattice formed by noninteracting nanotubes using a single-walled nanotube model in a longitudinal magnetic field. We show that the specific heat of nondegenerate electron gas in semiconductor nanotubes changes from kB/2 to kB as temperature increases. Magnetization has a “saw-tooth” form as a function of the magnetic field. For the lattice of nanotubes with two different radii, we found ordinary compensation points, points at which the magnetization vanishes at fixed values of the magnetic field strength.
Transmission spectra of the ultrarelativistic quasielectrons in the single barrier structures based on the gapped graphene
Authors: Korol A. M.
Published: September 2022

Contact structures composed of three regions of graphene are considered, the middle of which is the potential barrier for the quasielectrons. Within the framework of the continuum model, based on the Dirac-type equation, the transmission coefficient T of quasielectrons is calculated and analyzed: In one of them the barrier region (which is believed to be of a rectangular shape) is represented by the gapped graphene and out-of-barrier regions—by the gapless one (structure “b”), in another structure on the contrary, the barrier region is a massless graphene, out-ofbarrier regions—massive graphene (structure “a”). It is believed that there is an electrostatic barrier, as well as the Fermi velocity barrier due to the fact that this quantity may acquire different values in the barrier and out-of-barrier regions (υF2 and υF1, respectively) of the considered structure. The presence of an energy gap can lead to significant reduction of T. This fact can be used in the development of transistor-type devices based on graphene. The transmission coefficient T is very sensitive to the parameter ɛ = υF2/υF1. The resonances of the Fabry-Perot type as well as the presence of a critical angle of incidence of quasielectrons on the barrier play an important role in the formation of the transmission spectra. The analysis of the coefficient T dependence on the quasielectron energy and other (except for ɛ) problem parameters, such as the energy gap, the barrier width, is also provided.
A better way to make ammonia
Authors: Thompson Avery
Published: September 2022

Finding renewable, efficient ways to make the chemical responsible for nearly half the world’s food supply.
Design of CuCs-doped Ag-based catalyst for ethylene epoxidation
Authors: Wen Qi-xing , Xu Haoxiang , Nan Yang , Xie Yuan , Cheng Daojian
Published: September 2022

Our recent theoretical studies have screened out CuCs-doped Ag-based promising catalysts for ethylene epoxidation [ACS Catal. 11, 3371 (2021)]. The theoretical results were based on surface modeling, while in the actual reaction process Ag catalysts are particle shaped. In this work, we combine density functional theory (DFT), Wulff construction theory, and micro kinetic analysis to study the catalytic performance of Ag catalysts at the particle model. It demonstrates that the CuCs-doped Ag catalysts are superior to pure Ag catalysts in terms of selectivity and activity, which is further proved by experimental validation. The characterization analysis finds that both Cu and Cs dopant promote particle growth as well as particle dispersion, resulting in a grain boundary-rich Ag particle. Besides, CuCs also facilitate electrophilic atomic oxygen formation on catalyst surface, which is benefitial for ethylene oxide formation and desorption. Our work provides a case study for catalyst design by combining theory and experiment.
Restructuring of 4H phase Au nanowires and its catalytic behavior toward CO electro-oxidation
Authors: Ye Xuxu , Liu Bingyu , Zhou Da , Chen Yan Xia
Published: September 2022

Au nanowires in 4H crystalline phase (4H Au NWs) are synthesized by colloid solution methods. The crystalline phase and surface structure as well as its performance toward electrochemical oxidation of CO before and after removing adsorbed oleylamine molecules (OAs) introduced from its synthesis are evaluated by high-resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD), underpotential deposition of Pb (Pb-upd) and cyclic voltammetry. Different methods, i.e. acetic acid cleaning, electrochemical oxidation cleaning, and diethylamine replacement, have been tried to remove the adsorbed OAs. For all methods, upon the removal of the adsorbed OAs, the morphology of 4H gold nanoparticles is found to gradually change from nanowires to large dumbbell-shaped nanoparticles, accompanying with a transition from the 4H phase to the face-centered cubic phase. On the other hand, the Pb-upd results show that the sample surfaces have almost the same facet composition before and after removal of the adsorbed OAs. After electrochemical cleaning with continuous potential scans up to 1.3 V, CO electro-oxidation activity of the 4H Au sample is significantly improved. The CO electro-oxidation activity is compared with results on the three basel Au single crystalline surfaces reported in the literature, possible origins for its enhancement are discussed.
Behavior characterization of hydrogen species on ZnO electrode during electrolytic reduction of water
Authors: Yuan Lufeng , Li Wangyang , Xu Guangyuan , Wan Mengqi , Zhang Zhen
Published: September 2022

The behavior of hydrogen production on ZnO electrode during the electrolytic reduction of water was investigated by cyclic voltammetry (CV) and cathode polarization experiments combined with in situ Raman and photoluminescence spectroscopy. CV experiments indicate that hydrogen species prefers to diffuse into the ZnO bulk at negative potentials and occupies oxygen vacancies and interstitial sites. Meanwhile, the H2O reduction is self-enhanced during the electroreduction process, as evidenced by the trace crossing of the CV curves and the chronoamperometric experiment. The influence of the H species on the ZnO electrode during the electrocatalytic processes was characterized by the in situ Raman and photoluminescence spectroscopies. These results help us to understand the hydrogen-related catalytic or electrocatalytic processes on ZnO surfaces.
Picosecond infrared laser driven sample delivery for simultaneous liquid-phase and gas-phase electron diffraction studies
Authors: Huang Zhipeng , Kayanattil Meghanad , Hayes Stuart A. , Miller R. J. Dwayne
Published: September 2022

Here, we report on a new approach based on laser driven molecular beams that provides simultaneously nanoscale liquid droplets and gas-phase sample delivery for femtosecond electron diffraction studies. The method relies on Picosecond InfraRed Laser (PIRL) excitation of vibrational modes to strongly drive phase transitions under energy confinement by a mechanism referred to as Desorption by Impulsive Vibrational Excitation (DIVE). This approach is demonstrated using glycerol as the medium with selective excitation of the OH stretch region for energy deposition. The resulting plume was imaged with both an ultrafast electron gun and a pulsed bright-field optical microscope to characterize the sample source simultaneously under the same conditions with time synchronization equivalent to sub-micrometer spatial resolution in imaging the plume dynamics. The ablation front gives the expected isolated gas phase, whereas the trailing edge of the plume is found to consist of nanoscale liquid droplets to thin films depending on the excitation conditions. Thus, it is possible by adjusting the timing to go continuously from probing gas phase to solution phase dynamics in a single experiment with 100% hit rates and very low sample consumption (<100 nl per diffraction image). This approach will be particularly interesting for biomolecules that are susceptible to denaturation in turbulent flow, whereas PIRL–DIVE has been shown to inject molecules as large as proteins into the gas phase fully intact. This method opens the door as a general approach to atomically resolving solution phase chemistry as well as conformational dynamics of large molecular systems and allow separation of the solvent coordinate on the dynamics of interest.
Design and evaluation of magnetic field strength detection devices for millimeter-sized planar square inductors based on a mutual coupling model
Authors: Tian Lei , Song Limei , Zheng Yu , Wang Jinhai
Published: September 2022

Micro-magnetic stimulation is a research hotspot in the field of neuromodulation. However, it is difficult to measure the weak magnetic field produced by a millimeter-sized inductor. In this study, a mutual inductance model considering different positions and sizes was established for a common planar square spiral coil micro-magnetic stimulator. A physical model was simulated using the Comsol finite element method to verify the accuracy of the mutual inductance model. A weak magnetic field detection system was constructed using the TI AD8130 and NE5532 chips, and the magnetic field strengths of excitation micro-coils sized 3.612 × 3.612 and 5.55 × 5.55 mm2 were measured. The results show that when the size ratio of the detection coil (DC) to the excitation coil (EC) is under a specific ratio (DC:EC = 1:1, 2:1, 1.53:1,2.36:1), the measurement range of the magnetic field strength is in the range 0–3.06 mT with an error of 0.05 mT, and the frequency is in the range 1–120 kHz. The measurement accuracy rate reaches 97.62%. The results of this study have potential application in the measurement of the weak magnetic field.
Permittivity measurement of the substrate by using the corrected differential phase method and quick-press test fixture
Authors: Zhu Hui , Gao Chong , Li En , Yu Chengyong , Xu Xinjie , Pan Junwen
Published: September 2022

Permittivity is critical for analyzing electromagnetic propagation in the substrate. The differential phase method is desirable to measure the permittivity of the substrate. The actual measurement is usually required to be started at a low frequency to avoid the S21-phase ambiguity problem. To get rid of this problem, the unwrapped S21-phase is calculated accurately at any measurement frequency range. In the classical method of calculating the real permittivity from the effective permittivity, the calculation error increases gradually with increasing frequency, especially in an ultra-wide frequency range. To effectively reduce the error, the ratio of the calculated and real permittivity is used in the permittivity correction, which is a function with respect to frequency, dimension, and permittivity of the microstrip line. A two-step fitting process is proposed to reduce the dimension of the ratio function from three-dimension to two-dimension. Furthermore, a quick-press test fixture is designed for a more convenient measurement, which is characterized by no soldering requirement and ultra-wide frequency range. Compared with the stripline resonant method, in the proposed method, the maximum deviations of the four substrates are 0.035, −0.04, 0.07, and 0.13, in the frequency range of 1–40 GHz.
On (t2, t3)-Zakharov–Shabat equations of generalized Kadomtsev–Petviashvili hierarchies
Authors: Magnot Jean-Pierre , Reyes Enrique G. , Rubtsov Vladimir
Published: September 2022

We review the integration of the Kadomtsev–Petviashvili (KP) hierarchy in several non-standard contexts. Specifically, we consider KP in the following associative differential algebras: an algebra equipped with a nilpotent derivation, an algebra of functions equipped with a derivation that generalizes the gradient operator, an algebra of quaternion-valued functions, a differential Lie algebra, an algebra of polynomials equipped with the Pincherle differential, and a Moyal algebra. In all these cases, we can formulate and solve the Cauchy problem of the KP hierarchy. In addition, in each of these cases, we derive different Zakharov–Shabat (t2, t3)-equations—that is, different Kadomtsev–Petviashvili equations—and we prove the existence of solutions arising from solutions to the corresponding KP hierarchy.
A numerical approach to the calculation of the Alfvén continuum in the presence of magnetic islands
Authors: Könies Axel , Cao Jinjia , Kleiber Ralf , Geiger Joachim
Published: September 2022

A numerical approach is devised to calculate the shear Alfvén continuum inside and outside magnetic islands in cylindrical and stellarator plasmas. Equations for an appropriate set of coordinates and the arising equations for the continuum are derived and implemented in the CONTI code. An experiment-oriented representation of the results is chosen to allow a radial localization of the modes and a comparison of different magnetic configurations. Comparison is made with results of earlier analytic work for validation. Agreement is good but more details of the spectrum, such as the generation of island induced gaps inside and outside the separatrix, are found. While the code is easily usable and can be applied to any magnetic equilibrium accessible with VMEC, the calculations are plagued with convergence issues close to the separatrix. A calculation for a realistic W7-X equilibrium with islands is done where the island width is estimated with the HINT code.
A thin metallo-dielectric stacked metamaterial as “add-on” for magnetic field enhancement in clinical MRI
Authors: Das Priyanka , Gupta Jegyasu , Sikdar Debabrata , Bhattacharjee Ratnajit
Published: September 2022

Magnetic resonance imaging (MRI) is a widely used clinical diagnostic tool, which is based on the principle of nuclear magnetic resonance of hydrogen atoms in human body. The Larmor frequency of precession of the hydrogen atoms is determined by the strength of static magnetic field ( B0) of MRI. A higher B0 can directly improve signal-to-noise ratio (SNR) of MRI. However, this method involves expensive hardware installation, which could have adverse effects of tissue-heating and make MRI unsafe for patients with medical implants. Hence, efforts have been made to increase the SNR of MRI without increasing B0. An effective solution in this direction would be to boost the radiofrequency (RF) magnetic fields emitted by the body part undergoing scan, particularly by using metamaterials. The higher the received RF signal strength, the greater the SNR of MRI. For a metamaterial to be used as an “add-on” in commercial scanners, its dimensions need to be designed appropriately so that it fits in the available gap between the transceiver coil and the human body. In this article, a 10-mm-thick metallo-dielectric metamaterial is designed by a stacking of alternate square-shaped capacitive patches and inductive apertures for enhancing the RF magnetic flux density and hence, the SNR of a 1.5 T MRI system. The inter-layer electromagnetic coupling in the stacked structure is deployed for spatial localization of magnetic fields at the resonant frequency (∼64 MHz) which is equal to the Larmor frequency of 1.5 T MRI. An equivalent circuit model, comprising a lumped-element third order bandpass filter, validated the transmissivity characteristics of the metamaterial obtained using full-wave simulations. Magnetic flux density enhancement by a factor of 55 is obtained when the metamaterial add-on is placed between a surface coil and a bio-model of human head.
Current-driven magnetization switching under zero field in Pt/Ta(wedge)/CoFeB/MgO multilayers
Authors: Akyol Mustafa , Yu Guoqiang , Wong Kin , Wang Kang L.
Published: September 2022

The switching of perpendicularly magnetized ferromagnets via current-induced spin–orbit torques is of great interest because of its potential applications in memory and logic devices. However, the in-plane electric current itself is not enough to switch the magnetization. In addition to the electric current, an in-plane external magnetic field is required for magnetization switching. This limits the usage of such devices in spintronic applications. Here, we work on the current-driven perpendicular magnetization switching in the Pt/Ta(wedge)/CoFeB/MgO multilayer. The structural symmetry is broken in both z-axis and in-plane due to the wedge Ta layer, which results in a field-like spin–orbit torque. The βz value extracted from the slope of the offset field vs current density increases with Ta layer thickness (<1.0 nm) and then decreases up to <1.3 nm. Thanks to both in-plane and z-axis asymmetries that enable the current-driven magnetization switching without the need for a magnetic field. We showed switching of the magnetization with a perpendicular magnetic anisotropy, switching in a wide range of Ta layer in Pt/Ta(wedge)/CoFeB/MgO multilayer.