bluuebunny/crossref_metadata_2025 huggingface dataset:
A [Mn18] wheel-of-wheels
Authors: Coletta Marco , Tziotzi Thomais G. , Gray Mark , Nichol Gary S. , Singh Mukesh K. , Milios Constantinos J. , Brechin Euan K.
Published: March 2021

A [Mn18] wheel of wheels is constructed from a simple reaction incorporating a triazatriol ligand.
Semisynthetic head-to-tail cyclized peptides obtained by combining proteintrans-splicing and intramolecular expressed protein ligation
Authors: Palei Shubhendu , Mootz Henning D.
Published: March 2021

A one-pot method to prepare head-to-tail semisynthetic cyclic peptides was developed using a dual intein pair.
Recent advances in the stereoselective synthesis of acyclic all-carbon tetrasubstituted alkenes
Authors: Buttard Floris , Sharma Jyoti , Champagne Pier Alexandre
Published: March 2021

Acyclic all-carbon tetrasubstituted alkenes are still some of the most challenging functional groups to access selectively. This Highlights reports on the most significant solutions toward this problem that were published between 2007 and 2020.
Unveiling the origin of photo-induced enhancement of oxidation catalysis at Mo(vi) centres of Ru(ii)–Mo(vi) dyads
Authors: Nazari Haghighi Pashaki Maryam , Choi Tae-Kyu , Rohwer Egmont J. , Feurer Thomas , Duhme-Klair Anne-Kathrin , Gawelda Wojciech , Cannizzo Andrea
Published: March 2021

Photoinduced oxidation-enhancement in Ru(ii)–Mo(vi) photocatalysts is caused by an ultrafast process where both the moieties are photoactivated.
A calix[4]pyrrole-based linear supramolecular polymer constructed by orthogonal self-assembly
Authors: Budak Aysegul , Aydogan Abdullah
Published: March 2021

Orthogonal anion-recognition and quadruple hydrogen bonding interactions were used to obtain a thermo- and chemical-responsive linear supramolecular polymer where in calix[4]pyrrole and ureidopyrimidinone units play critical roles.
Palladium-catalyzed Ugi-type reaction of 2-iodoanilines with isocyanides and carboxylic acids affording N-acyl anthranilamides
Authors: Yao Tuanli , Wang Bo , Ren Beige , Qin Xiangyang , Li Tao
Published: March 2021

The first palladium-catalyzed Ugi-type multicomponent reaction for the synthesis of structurally diverse N-acyl anthranilamides from isocyanides, 2-iodoanilines and carboxylic acids has been developed.
1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties
Authors: Yin Meng-Ru , Yan Qing-Qing , Li Bin , Yong Guo-Ping
Published: March 2021

1D ladder and 2D bilayer coordination polymers are constructed by using a new T-shaped ligand, in which the 2D bilayer exhibits CO2 gas adsorption features.
Ambient l-lactic acid crystal polymorphism
Authors: Yang Jingxiang , Hu Chunhua T. , Reiter Ethan , Kahr Bart
Published: March 2021

The second and third crystalline forms of lactic acid are described, yet along with the known structure, they together fail to reproduce any of the supramolecular aggregates that have long been observed in isotropic media.
Computational prediction of Au(i)–Pb(ii) bonding in coordination complexes and study of the factors affecting the formation of Au(i)–E(ii) (E = Ge, Sn, Pb) covalent bonds
Authors: López-de-Luzuriaga José M. , Monge Miguel , Olmos M. Elena , Rodríguez-Castillo María , Sorroche Alba
Published: March 2021

Computational studies on Au(i)–E(ii) in [R3PAu–(ECl3)] (E = Ge, Sn, Pb) model systems indicate the covalent dative nature from the [ECl3]− metalloligands to Au(i) fragments and predict the existence of Au(i)–Pb(ii) bonds using electron widthdrawing PR3 ligands.
Directing group strategies in catalytic sp2 C–H cyanations: scope, mechanism and limitations
Authors: Cheng Hui-cheng , Guo Peng-hu , Ma Jiao-li , Hu Xiao-Qiang
Published: March 2021

Directing group strategy in transition metal catalyzed sp2 C–H bond cyanation has contributed to the direct conversion of hydrocarbons to cyano-containing compounds. Recent developments in transition metal-mediated sp2 C–H bond cyanation using this strategy are reviewed.
Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts
Authors: Garg Shipra , Unruh Daniel K. , Krempner Clemens
Published: March 2021

The BINOL supported 1,3,2-dioxaborepines [C10H12O2BC6F5(THF)] [(R)-1], [C10H12O2BC6F5(OPEt3)] [(R)-3], [C10H12O2BC6F5]2 [(R,R)-2], [C10H12O2B(OPEt3)2]+[B(O2C10H12)2]− [(R)-6], and [C10H12O2B(OSMe2)2]+[B(O2C10H12)2]− [(R)-7] have been prepared.
Continuous-flow electro-oxidative coupling of sulfides with activated methylene compounds leading to sulfur ylides
Authors: Liu Chengkou , Lin Yang , Cai Chen , Yuan Chengcheng , Fang Zheng , Guo Kai
Published: March 2021

Continuous-flow electrosynthesis of sulfur ylides under catalyst- and oxidant-free conditions at rt was developed.
Formic acid disproportionation into formaldehyde triggered by vanadium complexes with iridium catalysis under mild conditions in N-methylation
Authors: Zhou Chao-Zheng , Zhao Yu-Rou , Guo Yan-Jun , Zhang Ping , Li Yang
Published: March 2021

Renewable HCO2H disproportionation into CH2O triggered by vanadium complexes with iridium catalysis under mild conditions in N-methylation is discovered. The gram-scale application of in situ generated CH2O by HCO2H disproportionation is demonstrated.
Investigating the potential of tandem inductively coupled plasma mass spectrometry (ICP-MS/MS) for 41Ca determination in concrete
Authors: Russell B. , Mohamud H. , Miranda M. Garcia , Ivanov P. , Thompkins H. , Scott J. , Keen P. , Goddard S.
Published: March 2021

First measurement of 41Ca and 41Ca/40Ca by ICP-MS using tandem quadrupole setup and collision–reaction cell separation of interferences.
Encapsulation of perovskite nanocrystals into an organic polymer for improved stability
Authors: Shen Kang-An , Shi Chuan-Guo
Published: March 2021

3-Aminopropyltriethoxysilane is developed as a binder to fill the molecular gap between PNCs and PMMA, which significantly improves the stability of PNCs against moisture and irradiation.
Construction of PtSe2/Ge heterostructure-based short-wavelength infrared photodetector array for image sensing and optical communication applications
Authors: Lu Yu , Wang Yue , Xu Chenhao , Xie Chao , Li Wenbin , Ding Jie , Zhou Wanying , Qin Zipeng , Shen Xinyi , Luo Lin-Bao
Published: March 2021

A PtSe2/Ge heterostructure-based short-wavelength infrared photodetector array consisting of 1 × 10 units exhibits preferable uniformity with applications in image sensing and optical communication.
Fluorine-mediated synthesis of anisotropic iron oxide nanostructures for efficient T2-weighted magnetic resonance imaging
Authors: Sun Tao , Liu Yiding , Zhou Chunyu , Zhang Liang , Kang Xun , Xiao Shilin , Du Mengmeng , Xu Zhongsheng , Liu Yun , Liu Gang , Gong Mingfu , Zhang Dong
Published: March 2021

Fluoride ions were introduced as a morphology controlling agent and dopant for the shape-controlled synthesis of iron oxide nanostructures with superior MRI transverse relaxivity.
The CdTiO3/BaTiO3 superlattice interface from first principles
Authors: Fang Le , Chen Chen , Sundaresan A. , Narayana Chandrabhas , Ter-Oganessian Nikita , Pyatakov A. P. , Cao Shixun , Zhang Jincang , Ren Wei
Published: March 2021

Ferroelectric polarization controls interfacial conductivity with possible high mobility in the superlattice and a way also be found to maximize ferroelectric polarization in the superlattice.
Catalytic asymmetric umpolung reactions of imines via 2-azaallyl anion intermediates
Authors: Hussain Yaseen , Chauhan Pankaj
Published: March 2021

This review article describes all the significant recent developments in catalytic asymmetric umpolung reactions of imines involving a 2-azaallyl anion intermediate.
Predictions of moiré excitons in twisted two-dimensional organic–inorganic halide perovskites
Authors: Zhang Linghai , Zhang Xu , Lu Gang
Published: March 2021

Excitonic states in twisted MA2PbI4 bilayers were calculated by first-principles calculations.
Ceramic boron carbonitrides for unlocking organic halides with visible light
Authors: Yuan Tao , Zheng Meifang , Antonietti Markus , Wang Xinchen
Published: March 2021

A metal-free photoredox system was introduced for the transformation of organic halides to afford C–H, C–C, and C–S bonds without the addition of any metals, ligands, extra reductants or additives.
Correction: Mechanochemical generation of acid-degradable poly(enol ether)s
Authors: Yang Jinghui , Xia Yan
Published: March 2021

Correction for ‘Mechanochemical generation of acid-degradable poly(enol ether)s’ by Jinghui Yang et al., Chem. Sci., 2021, DOI: 10.1039/d1sc00001b.
Theory of polymer diffusion in polymer–nanoparticle mixtures: effect of nanoparticle concentration and polymer length
Authors: Zhang Bokai , Li Jian , Hu Juanmei , Liu Lei
Published: March 2021

Changes of polymer diffusion in polymer–nanoparticle mixtures influenced by nanoparticle concentration and polymer length are captured by a newly developed microscopic theoretical approach.
Two routes of direct intercellular communication in brain cancer
Authors: Azorín Daniel D. , Winkler Frank
Published: March 2021

Glioblastoma is a particularly challenging disease characterized by the connection of tumor cells to functional multicellular networks that effectively resist therapies. In this issue of Biochemical Journal, Pinto et al. report the discovery of two distinct classes of intercellular membrane tube connections, tunneling nanotubes and tumor microtubes, in the same state-of-the-art culture model of patient-derived glioblastoma material. These findings contribute to our understanding of the heterogeneity of intercellular membrane tubes in health and disease, and pave the way for future functional studies on their various roles for disease progression and tumor resistance.
CNN‐based novelty detection for terrestrial and extra‐terrestrial autonomous exploration
Authors: Bampis Loukas , Gasteratos Antonios , Boukas Evangelos
Published: March 2021

Novelty detection is concerned with detecting features that do not belong to any known class or are not well represented by existing models. Ergo, in autonomous navigation novelty detection determines whether an input camera frame contains certain entities of high interest which do not correspond to a known category. One of the key requirements for the future space exploration missions is the reduction of the information to be transferred back to Earth. Thus, novelty detection techniques have been developed to select the subset of acquired images with significant measurements that justify utilisation of the limited bandwidth from the available information link. Such methods are based on the identification of salient regions, which are then evaluated against a set of trained classifiers. We explore a novelty detection approach, based on the reasoning properties of Neural Networks, which follow the same guidelines while also being trainable in an end‐to‐end manner. This characteristic allows for the intertwined optimisation of the individual components leading to a closer estimation of a global solution. Our experiments reveal that the proposed novelty detection system achieves better performance, as compared to hand‐crafted techniques, when the learning and testing examples refer to similar environments.
A coarse to fine network for fast and accurate object detection in high‐resolution images
Authors: Guo Yaguang , Zou Qi , Jin Lu
Published: March 2021

Because of the popularisation of high‐resolution images, detecting objects in these images quickly and accurately has attracted increasing attention in recent studies. Current convolutional neural networks (CNN)‐based detection methods have limitations in detecting small objects owing to the interference of scale variation. In this work, we propose an improved generic framework based on YOLOv3. Equipped with multiresolution supervision for training and multiresolution aggregation for inference, this method can deal with the challenge of scale variation in high‐resolution images. At first, we move up the multiscale prediction position and add a dilated convolution module on YOLOv3 to improve the accuracy of detection, especially for small objects. Then, we present a coarse to fine method to reduce the detection time. Experiments on a COCO dataset show that our approach achieves 2.8% better accuracy compared with the previous YOLOv3. On a Dataset for Object deTection in Aerial images dataset (a high‐resolution remote sensing dataset), our approach outperformed the YOLOv3 by nearly three percentage points in mean average precision. Moreover, it is up to three times faster as well and two times smaller than the previous YOLOv3.
Analysis of low‐frequency polarisation behaviour for oil‐paper insulation using logarithmic‐derivative spectroscopy
Authors: Liu Jiefeng , Fan Xianhao , Zhang Yiyi , Lai Benhui , Jiao Jian
Published: March 2021

The low‐frequency polarisation information of oil‐paper insulation could be easily obscured by the conductance effect, and the contained polarisation information thus can not be readily extracted from the frequency domain spectroscopy (FDS). Given this issue, an alternative idea is reported to extract the low‐frequency polarisation information by using logarithmic‐derivative spectroscopy (LDS). The present findings proved that the parameters extracted by using the LDS can be applied for studying the low‐frequency polarisation behaviour under the moisture effect. In that respect, the novelty of this work is in the exploration of the LDS as a potential tool to extract feature parameters for analyzing the low‐frequency polarisation information of transformer oil‐paper insulation.
Method of GIL partial discharge localization based on natural neighbour interpolation and ECOC‐MLP‐SVM using optical simulation technology
Authors: Zang Yiming , Qian Yong , Wang Hui , Xu Antian , Sheng Gehao , Jiang Xiuchen
Published: March 2021

Partial discharge (PD) is one of the main causes rendering the deterioration of the insulation state in gas‐insulated transmission line (GIL). Accurate and timely localization of the PD source is essential to ensure the safe and stable operation of the GIL. At present, optical PD detection technology shows advantages in terms of high sensitivity and strong anti‐interference performance. Therefore, an optical PD localization method based on optical simulation fingerprint database is proposed. The introduction of simulation conquers the difficulty of obtaining a PD fingerprint database in field experiments. This method constructs a simulation fingerprint database by performing PD simulation in a GIL simulation model of the same size as the actual GIL. The natural neighbour interpolation algorithm is applied to expand the simulation fingerprint database to cover all locations in the GIL. The two‐level localization method proposed is to match the PD fingerprint to be tested with the expanded fingerprint database, which can reduce the amount of calculation while maintaining the localization accuracy. The experimental results show that the average localization error of this method is only 9.7 mm, and the localization time is reduced by about 11 times compared with the normal one‐level localization method.
Wireless communication applications of the variable inclination continuous transverse stub array for Ku‐band applications
Authors: Wang Ankang , Yang Lin , Yi XiangJie , Li Xi , Zhao Jiawei , Zhang Yu
Published: March 2021

A wideband and continuous beam steering variable inclination continuous transverse stub antenna array is presented in the communication. The proposed antenna consists of a continuous transverse stub (CTS) array and a line source generator (LSG). These two parts are designed and optimized separately. The LSG structure is generated by a Pillbox transition. The CTS array is composed of 20 radiating slots and is fed by a corporate‐feed network. The corporate‐feed network adopts a series‐parallel hybrid structure to realize lower profile and high‐efficiency performance. The relative rotation movement between the CTS array and the LSG generates a phase gradient on the radiation part such that the proposed antenna can obtain a continuous beam in the upper hemisphere. Based on the array synthesis encryption sampling technology theory, the relationship between the mechanical rotation angle and the beam direction is analysed and obtained. To validate the antenna concept, the antenna is fabricated and measured. The simulation and measurement results are in good agreement. Through the rotation of the CTS array, the designed antenna achieves a ±56°scan. The measured results show that the array can achieve an impedance bandwidth of 16% in Ku‐band at the centre frequency of 12 GHz with 67% aperture efficiency. The proposed antenna has the characteristics of low profile, high efficiency, large coverage, and wideband, which is well suited for mobile satellite communication.
A short‐time range‐angle‐decoupled beam pattern synthesis for frequency diverse arrays
Authors: Cui Can , Li Wentao , Ye Xiutiao , Hei Yongqiang , Shi Xiaowei
Published: March 2021

Frequency diverse array (FDA), by virtue of its range‐angle‐dependent beam pattern, has drawn a substantial attention in recent years. However, as far as the time‐variant range‐angle‐coupled beam pattern is concerned, such inherent flaw has become a bottleneck of its further development. To address this issue, herein, a logarithm‐based optimised static non‐linear frequency offset (LOSNFO) for FDA is proposed, which can successfully alleviate its inherent flaw, thus producing a short‐time range‐angle‐decoupled beam pattern with low sidelobe levels (SLLs) and narrow half‐power beam widths (HPBWs). Moreover, for practical applications, the proposed LOSNFO considers the propagation effect, which is always neglected in its counterpart. Numerical results are reported to demonstrate the effectiveness and superiority of the proposed LOSNFO‐FDA.
Absorption enhanced thin‐film solar cells using fractal nano‐structures
Authors: Shameli Mohammad Ali , Yousefi Leila
Published: March 2021

In this article, a new structure for development of thin film solar cells is proposed in which elements with fractal shapes are integrated inside the cell to enhance its performance in a wide range of wavelengths. Two different structures are studied. In the first structure, a metallic fractal nano‐carpet is integrated inside the silicon layer in order to trap and absorb sunlight by exciting surface plasmon polaritons and local surface plasmons at different wavelengths. Numerical analysis shows that this technique increases the short circuit current provided by the cell by a factor of 2.40 for both TM and TE polarisations of the incident light. The second structure has an active layer shaped as a fractal structure, and absorbs sunlight through Mie and Fabry‐Perot resonances occurring at different wavelengths. The short circuit current enhancement for this structure is 2.97 for both TM and TE polarisations of the incident light, representing a significant improvement when compared with the previous works.
Finite Volume approximation of a two-phase two fluxes degenerate Cahn–Hilliard model
Authors: Cancès Clément , Nabet Flore
Published: March 2021

We study a time implicit Finite Volume scheme for degenerate Cahn–Hilliard model proposed in [W. E and P. Palffy-Muhoray, Phys. Rev. E 55 (1997) R3844–R3846] and studied mathematically by the authors in [C. Cancès, D. Matthes and F. Nabet, Arch. Ration. Mech. Anal. 233 (2019) 837–866]. The scheme is shown to preserve the key properties of the continuous model, namely mass conservation, positivity of the concentrations, the decay of the energy and the control of the entropy dissipation rate. This allows to establish the existence of a solution to the nonlinear algebraic system corresponding to the scheme. Further, we show thanks to compactness arguments that the approximate solution converges towards a weak solution of the continuous problems as the discretization parameters tend to 0. Numerical results illustrate the behavior of the numerical model.
Das Fibromyalgiesyndrom aus der psychosomatischen Perspektive: Ein Überblick
Authors: Schilling Christoph , Weidner Kerstin
Published: March 2021

Das Fibromyalgiesyndrom (FMS) wird im psychosomatischen Kontext als stressinduzierte Schmerzerkrankung durch eine Sensibilisierung der zentralnervösen schmerzverarbeitenden Systeme verstanden. Das FMS zeigt hohe Komorbiditäten mit psychischen bzw. psychosomatischen Störungen wie Depression, Angststörungen, somatoformen Störungen und Persönlichkeitsstörungen. Biografisch frühe Stresserfahrungen und Traumatisierungen wie körperlicher oder sexueller Missbrauch in der Kindheit bilden eine Vulnerabilität für die spätere Entwicklung eines FMS. Die Gruppe der FMS-Patient/innen ist hinsichtlich der pathophysiologischen Entstehungswege heterogen, weshalb eine mechanismenbasierte Differenzierung von Subgruppen sinnvoll erscheint. Typische Teufelskreise der Chronifizierung des FMS werden beschrieben und die Wichtigkeit einer gelingenden Arzt-Patient/in-Beziehung herausgestellt. Schwergegradgestuftes Vorgehen und Kommunikationsstrategien werden am Fallbeispiel dargestellt.
A Novel Peptide Derived from Ginger Induces Apoptosis through the Modulation of p53, BAX, and BCL2 Expression in Leukemic Cell Lines
Authors: Chatupheeraphat Chawalit , Roytrakul Sittiruk , Phaonakrop Narumon , Deesrisak Kamolchanok , Krobthong Sucheewin , Anurathapan Usanarat , Tanyong Dalina
Published: March 2021

Despite the efficacy of chemotherapy, the adverse effects of chemotherapeutic drugs are considered a limitation of leukemia treatment. Therefore, a chemotherapy drug with minimal side effects is currently needed. One interesting molecule for this purpose is a bioactive peptide isolated from plants since it has less toxicity to normal cells. In this study, we extracted protein from the Zingiber officinale rhizome and performed purification to acquire the peptide fraction with the highest cytotoxicity using ultrafiltration, reverse-phase chromatography, and off-gel fractionation to get the peptide fraction that contained the highest cytotoxicity. Finally, a novel antileukemic peptide, P2 (sequence: RALGWSCL), was identified from the highest cytotoxicity fraction. The P2 peptide reduced the cell viability of NB4, MOLT4, and Raji cell lines without an effect on the normal peripheral blood mononuclear cells. The combination of P2 and daunorubicin significantly
decreased leukemic cell viability when compared to treatment with either P2 or daunorubicin alone. In addition, leukemic cells treated with P2 demonstrated increased apoptosis and upregulation of caspase 3, 8, and 9 gene expression. Moreover, we also examined the effects of P2 on p53, which is the key regulator of apoptosis. Our results showed that treatment of leukemic cells with P2 led to the upregulation of p53 and Bcl-2-associated X protein, and the downregulation of B-cell lymphoma 2, indicating that p53 is involved in apoptosis induction by P2. The results of this study are anticipated to be useful for the development of P2 as an alternative drug for the treatment of leukemia.
Comparison of Point-of-Care versus Central Laboratory Testing of Electrolytes, Hemoglobin, and Bilirubin in Neonates
Authors: Choi Ha-young , Corder William , Tefera Eshetu , Abubakar Kabir M.
Published: March 2021

Objective Electrolyte, hemoglobin, and bilirubin values are routinely reported with point-of-care (POC) testing for blood gases. Results are rapidly available and require a small blood volume. Yet, these results are underutilized due to noted discrepancies between central laboratory (CL) and POC testing. The study aimed to determine the correlation between POC and CL measurement of electrolytes, hemoglobin, and bilirubin in neonates.

Study Design Electrolyte, hemoglobin, and bilirubin results obtained from capillary blood over a 4-month period were analyzed. Each CL value was matched with a POC value from the same sample or another sample less than 1-hour apart. Agreement was determined by measuring the mean difference (MD) between paired samples with 95% limits of agreement (LOA) and Lin's concordance correlation (LCC).

Results There were 355-paired sodium/potassium, 139 paired hemoglobin, and 197 paired bilirubin values analyzed. POC sodium values were lower (133.5 ± 5.8 mmol/L) than CL (140.2 ± 5.8 mmol/L), p <0.00001 with poor agreement (LCC = 0.49; MD = 6.7; 95% LOA: −13.6 to 0.14). POC potassium values were lower (4.6 ± 0.98 mmol/L) than CL (4.98 ± 1.24mEq/L), p < 0.0001, but with better concordance and agreement. (LCC = 0.6; MD = 0.4; 95% LOA: −2.3 to 1.4). There were no differences in hemoglobin between POC (14.3 ± 3.2 g/dL) and CL (14.4 ± 3.1 g/dL), p = 0.2 with good LCC (0.93) and in bilirubin values between POC (6.0 ± 3.2 mg/dL) and CL (5.8 ± 3.0 mg/dL), MD = 0.18, and p = 0.07.

Conclusion POC Sodium values are lower than CL. POC potassium levels are also lower, but the differences may not be clinically important while hemoglobin and bilirubin levels are similar between POC and CL. As POC potassium, hemoglobin, and bilirubin levels closely reflect CL values, these results can be relied upon to make clinical judgments in neonates.

Key Points
Effect of Early Parent Participation Program on Physiological Stability in Preterm Infants: A Randomized Controlled Trial
Authors: Pillai Anish , Pournami Femitha , Prabhakar Jyothi , Nair PMC , Jain Naveen
Published: March 2021

Objective This research aimed to study the impact of early parent participation program (EPPP) for preterm infants in neonatal intensive care unit (NICU) on physiological instability, breastmilk feeding rates, and discharge timing.

Study Design Families of 147 infants born between 28 and 33 weeks' gestation were randomized at birth to EPPP group or conventional care (CC). Families in the EPPP group were trained soon after admission by using a structured education program and encouraged to spend more time with their baby. Soon after enrolment (day of life 1 to 2), they would sequentially participate in daily NICU care processes such as orogastric tube feeding, nesting, oil massages, diaper changes, and daily weight checks. Families in the CC group would undergo the same after their infant was off parenteral nutrition and respiratory support. Proportion of infants having physiological instability (significant apnea, feeding intolerance, or needing investigation for sepsis) in two groups was compared.

Results There was a significant reduction in the proportion of infants with physiological instability (feeding intolerance) in the EPPP group (relative risk = 0.70 [0.52–0.94], p = 0.016). Infants in EPPP group had a trend toward higher breastmilk feeding rates at discharge (66 vs. 51%, p = 0.076).

Conclusion Very early parent participation was feasible in the NICU and led to decrease in physiological instability in preterm infants.

Key Points
Interaction-round-a-face and consistency-around-a-face-centered-cube
Authors: Kels Andrew P.
Published: March 2021

There is a correspondence between integrable lattice models of statistical mechanics and discrete integrable equations that satisfy multidimensional consistency, where the latter may be found in a quasi-classical expansion of the former. This paper extends this correspondence to interaction-round-a-face (IRF) models, resulting in a new formulation of the consistency-around-a-cube integrability condition applicable to five-point equations in the square lattice. Multidimensional consistency for these equations is formulated as consistency-around-a-face-centered-cube (CAFCC), which, namely, involves satisfying an overdetermined system of 14 five-point lattice equations for eight unknown variables on the face-centered cubic unit cell. From the quasi-classical limit of IRF models, which are constructed from the continuous spin solutions of the star–triangle relations associated with the Adler–Bobenko–Suris list, 15 sets of equations are obtained, which satisfy CAFCC.
Evaluating the hydropower potential of the Grand Ethiopian Renaissance Dam
Authors: Eldardiry Hisham , Hossain Faisal
Published: March 2021

One of the largest hydropower projects in Africa is the Grand Ethiopian Renaissance Dam (GERD), which is currently under construction in the Upper Blue Nile (UBN) basin in Ethiopia. The GERD has been billed as a hydropower project that will significantly improve electricity supply in Ethiopia and neighboring countries with a total capacity of 5150 MW. This paper evaluates the hydrological potential of the UBN basin for meeting the declared hydropower production design from the GERD. Our investigation indicated that the hydrology of the UBN can sustain the inflow to the GERD that would produce 13 629 GWh per annum (capacity factor = 0.30). Investigations further revealed that the GERD operation in the current design configuration will likely result in eight (out of 14) idle turbines every year. Our study also demonstrated that current GERD capacity (5150 MW) is more reasonable than previous designs (e.g., 6000 and 6450 MW).
Impact of the coronavirus pandemic on electric vehicle workplace charging
Authors: McClone Graham , Kleissl Jan , Washom Byron , Silwal Sushil
Published: March 2021

The University of California, San Diego, has responded to the growth of Electric Vehicle (EV) ownership by continually adding charging stations all around campus over the past five years. In March 2020, the coronavirus pandemic caused a massive decline in EV charging as shelter-in-place orders were issued and the campus closed except for the medical centers. Overall, EV charging energy demand decreased by over 73%. But the decrease was uneven as direct current fast charger (DCFC) stations and the charging stations at the university's medical centers took on a larger percentage of the total campus load. Charging energy provided at the nonmedical stations decreased by 84%, while it decreased 50% at medical stations and 67% at DCFC stations. DCFC showed the strongest recovery in charging energy during the shutdown. The distribution of charging energy during the day and the charging duration did not change during the shutdown, while the plug-in duration increased. Implications for decarbonizing the transportation and electrical power systems are discussed.
Human lung-on-chips: Advanced systems for respiratory virus models and assessment of immune response
Authors: Saygili Ecem , Yildiz-Ozturk Ece , Green Macauley J. , Ghaemmaghami Amir M. , Yesil-Celiktas Ozlem
Published: March 2021

Respiratory viral infections are leading causes of death worldwide. A number of human respiratory viruses circulate in all age groups and adapt to person-to-person transmission. It is vital to understand how these viruses infect the host and how the host responds to prevent infection and onset of disease. Although animal models have been widely used to study disease states, incisive arguments related to poor prediction of patient responses have led to the development of microfluidic organ-on-chip models, which aim to recapitulate organ-level physiology. Over the past decade, human lung chips have been shown to mimic many aspects of the lung function and its complex microenvironment. In this review, we address immunological responses to viral infections and elaborate on human lung airway and alveolus chips reported to model respiratory viral infections and therapeutic interventions. Advances in the field will expedite the development of therapeutics and vaccines for human welfare.
Microstructure scaling of metal–insulator transition properties of VO2 films
Authors: Niang K. M. , Bai G. , Lu H. , Robertson J.
Published: March 2021

The metallic to semiconducting resistivity ratios and the transition temperature sharpness of annealed atomic layer deposited VO2 films on amorphous silicon dioxide are found to depend on the grain size in a closely similar way to films from previous sputtered or pulse laser deposited work. This occurs because the dominance of grain growth and compaction processes leads to a common scaling of properties with the grain size. Density functional simulations find that V–V dimerizations allow grain boundaries to remain semiconducting but with a reduced bandgap, while others create metallic grain boundaries, reducing the resistivity ratio for smaller grains in both cases.
Unravel unusual hardening behavior of a Pd–Ni–P metallic glass in its supercooled liquid region
Authors: Cao Y. H. , Du Q. , Liu X. J. , Wang L. , Wu Y. , Wang H. , Jiang S. H. , Ren Y. , Nieh T. G. , Lu Z. P.
Published: March 2021

Monolithic metallic glasses often exhibit work softening induced by high atom mobility in the supercooled liquid region in tension. In this work, we report an unusual viscous flow of the Pd42.5Ni42.5P15 metallic glass in its supercooled liquid region, which is characterized by a remarkable hardening behavior with decent plasticity during tension. To unravel the causes of this unusual hardening, we conducted structural and thermodynamic analyses by employing several experiments, including dynamic mechanical analysis, differential scanning calorimetry, high-resolution transmission electron microscopy, and in situ heating synchrotron high-energy x-ray diffraction. It was found that the unusual hardening behavior was attributed to structural ordering during deformation, rather than nanocrystallization or structural relaxation observed, sometimes, in metallic glasses deformed in supercooled liquid region. We also incorporated an additional work hardening region in the modified deformation map for metallic glasses.
Natural frequency calculation of reinforced earth retaining wall considering wall–soil interaction
Authors: Han Linfeng , Li Qian
Published: March 2021

Natural frequency is one of the important indicators that reflect the dynamic performance of the structure. On the basis of comprehensive consideration of the continuity of the deformation of the filling behind the reinforced retaining wall, if the filling behind the wall is regarded as the Pasternak two-parameter foundation model, then the retaining wall panels can be considered as Bernoulli–Euler beams. Considering the force characteristics of the panel, the calculation of the shear modulus of the panel and the foundation reaction force of the filling soil behind the wall is reasonably considered. On this basis, the natural frequency calculation model of the reinforced retaining wall interacting with the concrete faceplate and the backfill of the wall is established, and the natural frequency calculation equation of the reinforced retaining wall is derived through the wall–soil dynamic balance equation. The complex modal analysis method is used to obtain the analytical solution of the natural frequency of the reinforced retaining wall, and the comparative analysis with the existing method proves the validity of the calculation result; then, the method is used to analyze the frequency influence factors of the reinforced retaining wall.
Persistent homology in two-dimensional atomic networks
Authors: Ormrod Morley David , Salmon Philip S. , Wilson Mark
Published: March 2021

The topology of two-dimensional network materials is investigated by persistent homology analysis. The constraint of two dimensions allows for a direct comparison of key persistent homology metrics (persistence diagrams, cycles, and Betti numbers) with more traditional metrics such as the ring-size distributions. Two different types of networks are employed in which the topology is manipulated systematically. In the first, comparatively rigid networks are generated for a triangle-raft model, which are representative of materials such as silica bilayers. In the second, more flexible networks are generated using a bond-switching algorithm, which are representative of materials such as graphene. Bands are identified in the persistence diagrams by reference to the length scales associated with distorted polygons. The triangle-raft models with the largest ordering allow specific bands Bn (n = 1, 2, 3, …) to be allocated to configurations of atoms separated by n bonds. The persistence diagrams for the more disordered network models also display bands albeit less pronounced. The persistent homology method thereby provides information on n-body correlations that is not accessible from structure factors or radial distribution functions. An analysis of the persistent cycles gives the primitive ring statistics, provided the level of disorder is not too large. The method also gives information on the regularity of rings that is unavailable from a ring-statistics analysis. The utility of the persistent homology method is demonstrated by its application to experimentally-obtained configurations of silica bilayers and graphene.
Viscous diffusion induced evolution of a vortex ring
Authors: Behera Manas Ranjan , Dasgupta Anirvan , Chakraborty Sudipto
Published: March 2021

The evolution of a vortex ring generated by drop impinging on a liquid pool is experimentally, numerically, and analytically investigated. The effect of impingement heights and shapes of the drops on the evolution of the vortex ring are examined in terms of its ring radius, core radius, translational velocity, vorticity, and circulation. We develop a novel analytical model for a finite vortex core to study its evolution in terms of the aforementioned parameters. We verify the proposed model and compare the other existing models with the corresponding experimental results obtained from the drop impingement method. The mathematical model is suitable for predicting both short-time and long-time behavior of the vortex ring in a unified manner. The analytical study unveils the controlling parameters that govern the viscous diffusion-driven evolution of the vortex ring. The circulation dynamics of the ring for the drop impingement method, which has received very little attention, is also experimentally investigated. The Lagrangian particle tracking method is used to study the circulation dynamics of the vortex ring. The combined study of experimental and numerical results, in conjunction with the analytical approach, provides useful insights into the formation of the vortex ring and its viscous diffusion process.
Suppression of hysteresis in all-inorganic perovskite solar cells by the incorporation of PCBM
Authors: Yao Wenlong , Fang Shuyan , Wang Yanyan , Hu Ziyang , Huang Like , Liu Xiaohui , Jiang Tao , Zhang Jing , Wang Jun , Zhu Yuejin
Published: March 2021

All-inorganic halide perovskites (AIHPs) have become one of the most promising materials for commercial perovskite photovoltaics owing to their enhanced efficiency and thermodynamic stability. Output instability, such as current hysteresis, is stressed in organic-inorganic hybrid perovskite photovoltaics but is neglected in AIHP solar cells. Here, the origin and suppression of current hysteresis in AIHP solar cells are addressed from a microscopic viewpoint. The incorporation of fullerene into AIHP films efficiently suppresses ion migration, which alleviates the macroscopic current hysteresis in solar cells. This result is confirmed by both Kelvin probe force microscopy and conductive atomic force microscopy measurements. Our results provide an advanced understanding of the microscopic properties of AIHPs but also clearly clarify how to suppress the macroscopic current hysteresis, which further inspires the optimization of solar cells up to the levels of organic–inorganic hybrid counterparts.
Describing adsorption of benzene, thiophene, and xenon on coinage metals by using the Zaremba–Kohn theory-based model
Authors: Adhikari Santosh , Nepal Niraj K. , Tang Hong , Ruzsinszky Adrienn
Published: March 2021

Semilocal (SL) density functional approximations (DFAs) are widely applied but have limitations due to their inability to incorporate long-range van der Waals (vdW) interaction. Non-local functionals (vdW-DF, VV10, and rVV10) or empirical methods (DFT+D, DFT+vdW, and DFT+MBD) are used with SL-DFAs to account for such missing interaction. The physisorption of a molecule on the surface of the coinage metals (Cu, Ag, and Au) is a typical example of systems where vdW interaction is significant. However, it is difficult to find a general method that reasonably describes both adsorption energy and geometry of even the simple prototypes of cyclic and heterocyclic aromatic molecules such as benzene (C6H6) and thiophene (C4H4S), respectively, with reasonable accuracy. In this work, we present an alternative scheme based on Zaremba–Kohn theory, called DFT+vdW-dZK. We show that unlike other popular methods, DFT+vdW-dZK and particularly SCAN+vdW-dZK give an accurate description of the physisorption of a rare-gas atom (xenon) and two small albeit diverse prototype organic molecules on the (111) surfaces of the coinage metals.
Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide–argon complex
Authors: Lu Tao , Obenchain Daniel A. , Zhang Jiaqi , Grabow Jens-Uwe , Feng Gang
Published: March 2021

The van der Waals complex formed between diethyl disulfide (DEDS) and an argon atom was investigated by pulsed-jet Fourier transform microwave spectroscopy in conjunction with quantum chemical computations. One set of transition lines belonging to the configuration of the global potential energy minimum was measured and assigned. The rotational constants A, B, and C were accurately determined to be 1262.5758(1) MHz, 845.402 12(9) MHz, and 574.006 38(8) MHz, respectively. The distance between the argon atom and the center of mass of the DEDS subunit is 4.075(16) Å. Quantum theory of atoms in molecules and non-covalent interaction analyses reveal that the interactions take place between the argon atom and four sites of the DEDS subunit. Furthermore, the usage of the energy decomposition analysis approach provides further understanding of the characteristics of the van der Waals interactions. Additionally, ab initio calculations and symmetry-adapted perturbation theory analysis of the binary complexes of DEDS with He, Ne, Kr, and Xe atoms were carried out to get further insight into the characteristics of the van der Waal interactions of the disulfide bond.
Rock-breaking performances of innovative triangular-shaped polycrystalline diamond compact cutter
Authors: Zeng Yijin , He Wenhao , Zhang Zheng , Shi Huaizhong , Zhou Jun , Ding Shidong , Ma Guangjun
Published: March 2021

Due to high hardness and high abrasion, conventional planar polycrystalline diamond compact (PDC) cutters can easily get broken and dull when drilling in (ultra-)deep formations. To enhance the drilling performance, an innovative kind of non-planar PDC cutter, namely, a triangular-shaped PDC cutter, has been developed by altering the 2D planar cutting face into a 3D cutting structure of a triangular trustum of a pyramid. According to the numerical simulation results, the triangular-shaped PDC cutter can easily break hard rocks by a smaller cutting force than the conventional planar PDC cutter. Furthermore, it requires less mechanical specific energy for breaking the same volume of rock than the planar PDC cutter. The triangular-shaped PDC cutter shows great potential in improving the drilling performances of the PDC bit in hard and abrasive formations.
The effect of the wake on the separated boundary layer in a two-stage compressor
Authors: Zou Tengda , Lee Cunbiao
Published: March 2021

This experimental study provides striking examples of the separated boundary layer development resulting from blade–wake interaction in a multistage turbomachine. Particle image velocimetry measurements are performed within the second-stage rotors of a two-stage compressor. Phase-lock results confirm that wake impingement greatly changes the passage flow, as well as affecting the boundary layer flow. The high turbulence level and the negative jet behavior of the wake dominate the interaction between the unsteady wake and the separated boundary layer on the suction surface. By correlating the flow state of the boundary layer with the spatial position of the wake, the influence of the wake on the blade boundary layer flow is revealed, and the mechanism restraining boundary layer separation on the suction surface is studied. It is found that the wake itself does not inhibit separation, and instead, the boundary layer of the region swept by the wake is thickened and separation is strengthened. However, the wake impingement produces a turbulent spot, and the calmed region behind this spot inhibits separation, as well as making the boundary layer thinner. As a consequence, the periodic sweeping of the wake makes the boundary layer exhibit a clear periodicity.
Piezo-electric fields and state-filling photo-luminescence in natural InP/GaInP2 Wigner molecule structures
Authors: Mintairov A. M. , Ankundinov A. V. , Kalyuzhnyy N. A. , Lebedev D. V. , Mintairov S. A. , Pavlov N. V. , Galimov A. I. , Rakhlin M. V. , Salii R. A. , Toropov A. A. , Vlasov A. S. , Barettin D. , der Maur M. Auf , Blundell S. A.
Published: March 2021

We used the measurements of the photo-luminescence spectra vs photon pumping and Coulomb blockade charge tuning together with Kelvin probe microscopy to study piezo-electric fields in self-organized InP/GaInP2 quantum dots (QDs) having a strong Wigner localization regime. These exciton/electron state-filling measurements together with the surface potential imaging and the band structure calculations demonstrate a piezo-electric doping and type-I optical transitions induced in these dots by an atomic ordering (AO) of GaInP2. Our results clarify a critical role of AO in the formation of natural Wigner and anyon molecules and represent an important step for realization of the topological quantum gates using these QDs.
Therapeutic errors captured by the New Zealand National Poisons Centre: a retrospective audit
Authors: Yang Nicholas Y. , Pomerleau Adam C. , Shieffelbien Lucy M. , Kunac Desirée L. , Braund Rhiannon
Published: March 2021

ABSTRACT INTRODUCTION Medication errors are one important cause of harm to patients. Information about medication errors can be obtained from diverse sources, including databases administered by poisons centres as part of their routine operation. AIM The aim of this study was to describe the data regarding therapeutic errors captured by the New Zealand National Poisons Centre (NZNPC). METHODS A retrospective study of calls made to the NZNPC between 1 September 2016 and 31 August 2018 was conducted, which involved human patients and were classified as ‘therapeutic error’ in the NZNPC database. Variables extracted and analysed included the demographics of the individual, the substance(s) involved, and site of exposure. RESULTS During the study period, a total of 43,578 calls were received by the NZNPC, including 5708 (13%) that were classified as ‘therapeutic error’. Just over half of the exposures occurred in females, 3197 (56%) and 4826 (85%) of the calls involved a single substance. All age groups were affected and 2074 (37%) of the calls were related to children aged <12 years. A residential environment (n = 5568, 97%) was the site of exposure for almost all reported therapeutic errors, most commonly in the patient’s own home (n = 5207, 91%). DISCUSSION This study provides insights into therapeutic error-related calls to the NZNPC. Almost all errors occurred in the residential setting. Over one-third of the calls involved children. Enhanced data capture and classification methods are needed to determine the types of errors and their possible causes to better inform prevention efforts.