bluuebunny/crossref_metadata_2025 huggingface dataset:
Study on outlier robustness of minimum variance control performance assessment
Authors: Kaczmarek Kacper , Domański Paweł D.
Published: August 2021

Minimum variance (MinVar) method for control performance assessment constitutes one of the most common approaches to the control quality estimation. There are dozens of versions, enriched with numerous reported industrial implementations. MinVar methodology uses the idea of minimum variance, which has been introduced by Kalman. Therefore, it should be remembered that MinVar concept relies on the same assumptions as an idea of the minimum variance control. Among other assumptions, it is essential that the modeled disturbance is an independent random sequence. This article addresses scenarios, when loop noise exhibits non‐Gaussian properties and is characterized by outliers having fat‐tailed distribution. Sensitivity analysis of minimum variance method against such disturbances is evaluated using commonly used PID SISO control benchmarks. It is shown that MinVar method may be significantly biased in such non‐Gaussian situations, which are very frequent in the industrial reality. Reasons of the biased performance are traced and respective solutions are proposed.
Truth and Myth of Phase Coexistence in Methylammonium Lead Iodide Perovskite Thin Film via Transmission Electron Microscopy
Authors: Deng Yu‐Hao
Published: August 2021

Hybrid organic–inorganic perovskites have attracted substantial interest as the most favorable prospective material for efficient photovoltaic and optoelectronic devices. However, their extreme sensitivity to electron beam radiation makes it difficult to obtain their intrinsic structure by transmission electron microscopy and can even lead to significant misidentifications. In 2018, the coexistence of methylammonium lead iodide (MAPbI3) in the cubic and tetragonal phase using electron microscopy and electron diffraction techniques was reported in article “Self‐Organized Superlattice and Phase Coexistence inside Thin Film Organometal Halide Perovskite”. Herein, however, that claim is challenged by comparing their experimental data to simulated diffraction patterns and arguing that their perovskite samples may have been damaged due to excessive electron beam irradiation. Consequently, true phase coexistence was not observed in that previously reported work, rather merely the decomposition products of MAPbI3.
Designing Anti‐Icing Surfaces by Controlling Ice Formation
Authors: Zhou Xiaoteng , Sun Yuling , Liu Jie
Published: August 2021

Understanding the formation of ice from supercooled water on a surface is a matter of fundamental importance and general use. Kinetics of ice nucleation and ice growth on solid surfaces are actively studied, based on which effective anti‐icing surfaces are designed. This review introduces one major breakthrough of experimental estimation of the critical ice nucleus size in heterogenous ice nucleation (HIN). Besides that, targeted anti‐icing strategies are summarized according to the icing steps: suppression of ice nucleation, regulation of ice growth, and reducing ice adhesion. Factors such as crystal lattice match, charge, and ions, etc., are found to have determined effects on the HIN in specific circumstances. This promotes the study of surfaces with ice nucleation inhibition properties. Recent research about distinct ice growth patterns on hydrophobic and hydrophilic surfaces provides a new insight of designing icephobic surfaces by regulating ice growth or spreading processes. At last, effective surfaces including lubricated surface, low interfacial toughness surface, and superhydrophobic surface are developed to significantly reduce ice adhesion strength. The robustness, cost, and manufacture complexity can be problems that need to be considered for the widespread practice of anti‐icing surfaces.
Enhancing Iridium Nanoparticles’ Oxygen Evolution Reaction Activity and Stability by Adjusting the Coverage of Titanium Oxynitride Flakes on Reduced Graphene Oxide Nanoribbons’ Support
Authors: Moriau Léonard , Koderman Podboršek Gorazd , Surca Angelja Kjara , Semsari Parpari Sorour , Šala Martin , Petek Urša , Bele Marjan , Jovanovič Primož , Genorio Bostjan , Hodnik Nejc
Published: August 2021

Hydrogen production from solar energy is currently considered the best alternative to fossil fuels. Thus, materials enabling efficient and sustainable energy conversion and storage need to be developed. Iridium is still the only material used in proton exchange membrane electrolyzers that efficiently catalyze hydrogen evolution counter‐reaction, namely, the oxygen evolution reaction (OER) for electrochemical water splitting in acidic media. With no practical alternatives that can sustain the harsh reaction conditions, new approaches need to be developed to increase the utilization of this scarce metal. Hereby, a carbon–ceramic nanocomposite material is investigated, where Ir nanoparticles and nanoflakes of titanium oxynitride (TiONx) are deposited on the surface of reduced graphene oxide nanoribbons (rGONRs). OER performance is shown to be dependent on the mutual distribution of the Ir–TiONx–rGONR phases and in the best case leads up to 30 times higher activity relative to the commercial IrO2 benchmark. Adjusting the domains of different chemical nature within the same hybrid nanocomposite material through the formation of heterojunctions is shown to boost OER performance. This work demonstrates how fine‐tuning of morphology, composition, and particle distribution of the carbon–ceramic catalytic material can introduce a strong synergistic effect on OER activity and stability of iridium.
Flat Retroreflector Based on a Metasurface Doublet Enabling Reliable and Angle‐Tolerant Free‐Space Optical Link
Authors: Li Hongliang , Lee Woo‐Bin , Zhou Changyi , Choi Duk‐Yong , Lee Sang‐Shin
Published: August 2021

Facilitated by the ability to reflect radiation along its incident direction, retroreflectors have been perceived as a pivotal component for establishing reliable free‐space optical links. However, conventional retroreflectors suffer from limited integration because of their bulky size, heavy weight, and nonplanar shape. Metasurface‐based devices consisting of subwavelength nanostructures combine semiconductor manufacturing methods with nanophotonics, regarded as a new platform that outperforms geometrical optics. In this paper, a free‐space optical link exploiting a flat retroreflector (FRR) based on metasurface doublet is proposed and realized at a telecommunications wavelength of 1550 nm. The top‐ and bottom‐layer metasurfaces, comprising hydrogenated amorphous silicon nanopillars based on a meticulously tailored dielectric spacer of silica, achieve the functions of a transmissive Fourier lens and a concave mirror, respectively. The top transmissive metasurface performs a spatial Fourier transform and its inverse, while the bottom reflective metasurface imposes a spatially varying momentum for reflecting beams along their incident direction. As a proof of concept, the designed FRR, precisely created via lithographical nanofabrication, has been readily applied to forge a substantially reliable free‐space optical link, featuring an enhanced angular tolerance of ±25°. This work will initiate a positive prospect for the cooperation between metasurface‐based devices and wireless optical communications.
Yield and nutrient removal of cotton–corn–soybean rotation systems fertilized with poultry litter
Authors: Tewolde Haile , Buehring Normie , Way Thomas R. , Feng Gary , He Zhongqi , Sistani Karamat R. , Jenkins Johnie N.
Published: August 2021

Exporting excess mineral nutrients from soils that receive repeated poultry litter (PL) applications may be enhanced by rotating crops and fertilizers that increase crop yield. This study determined the magnitude of yield enhancement and mineral nutrient removal at harvest by cotton–corn–soybean rotation systems and by PL‐synthetic fertilizer rotations. Cotton (Gossypium hirsutum L.), corn (Zea mays L.), and soybean [Glycine max (L.) Merr.] were grown in rotation for 5 yr with five fertility treatments which included an unfertilized control (UTC), a standard fertilization with synthetic fertilizers yearly, phosphorus‐based poultry litter application every year for 5 yr (P5L), nitrogen‐based poultry litter application for 5 yr (N5L), and nitrogen‐based poultry litter application for 2 yr followed by synthetic nitrogen fertilization for 3 yr (N2L). The results showed that the N2L treatment, an alternative to the P‐based PL management, increased the yield of all three crops and enhanced nutrient mining and removal. All three treatments that involved PL fertilization increased soybean yield by as much as 12% over the Std. Rotation did not affect the yield of any of the three crops, but continuous cotton removed the least amount of nutrients. Rotations that included two soybean crops in the 5 yr removed the most amount of nutrients. The best strategy of managing PL where the three crops are grown in rotation is to fertilize cotton with PL to supply 100% of its N need followed by growing soybean without applying any fertilization in the subsequent 2 or 3 yr.
Multiple births and low birth weight: Evidence from South Korea
Authors: Cho Hyunkuk , Lee Yong Woo
Published: August 2021

Objective

The proportion of multiple births has risen rapidly worldwide. Multiple births are likely to affect birth weight, which results in low birth weight (LBW) of less than 2500 g, possibly, because multiples are more likely to be born prematurely or less than 37 weeks into pregnancy. Using data from South Korea, this study aims to estimate the contribution of the rise in multiples to the rise in LBW incidence.

Methods

Based on data from 2000 to 2017, we estimated the effect of multiples on LBW rates using linear regression analysis. Based on the regression analysis and the change in the proportion of multiples during this period, we calculated the contribution of the rise in multiples to the rise in LBW incidence using the total differential. In other words, we divided the change in LBW during the period due to the change in multiples by the total change during the period. The data are from the birth registry of the National Statistical Office, which contains information on the 8.4 million live births during the period 2000–2017.

Results

We found that a 1 percentage point increase in multiples increases the proportion of LBWs by 0.495 percentage points. In addition, because the changes in the proportion of multiples and LBWs from 2000 to 2017 are 2.2 and 2.4 percentage points, respectively, 1.1 percentage points or 45.8% of the increase in LBWs over the period is due to the increase in multiples.

Conclusion

Since the Korean government introduced a measure to reduce the number of transferred embryos recently, one may expect that multiples in Korea would reduce in the near future, as it did in other countries. Subsequently, the incidence of LBW children is also likely to reduce, which is desirable in terms of the children's health outcomes.
Proton Traffic Jam: Effect of Nanoconfinement and Acid Concentration on Proton Hopping Mechanism
Authors: Adams Ellen M. , Hao Hongxia , Leven Itai , Rüttermann Maximilian , Wirtz Hanna , Havenith Martina , Head‐Gordon Teresa
Published: August 2021

The properties of the water network in concentrated HCl acid pools in nanometer‐sized reverse nonionic micelles were probed with TeraHertz absorption, dielectric relaxation spectroscopy, and reactive force field simulations capable of describing proton hopping mechanisms. We identify that only at a critical micelle size of W0=9 do solvated proton complexes form in the water pool, accompanied by a change in mechanism from Grotthuss forward shuttling to one that favors local oscillatory hopping. This is due to a preference for H+ and Cl− ions to adsorb to the micelle interface, together with an acid concentration effect that causes a “traffic jam” in which the short‐circuiting of the hydrogen‐bonding motif of the hydronium ion decreases the forward hopping rate throughout the water interior even as the micelle size increases. These findings have implications for atmospheric chemistry, biochemical and biophysical environments, and energy materials, as transport of protons vital to these processes can be suppressed due to confinement, aggregation, and/or concentration.
Zinc‐[7]helicenocyanine and Its Discrete π‐Stacked Homochiral Dimer
Authors: Zhang Fangyuan , Radacki Krzysztof , Braunschweig Holger , Lambert Christoph , Ravat Prince
Published: August 2021

In this communication, we demonstrate a novel approach to prepare a discrete dimer of chiral phthalocyanine (Pc) by exploiting the flexible molecular geometry of helicenes, which enables structural interlocking and strong aggregation tendency of Pcs. Synthesized [7]helicene‐Pc hybrid molecular structure, zinc‐[7]helicenocyanine (Zn‐7HPc), exclusively forms a stable dimeric pair consisting of two homochiral molecules. The dimerization constants were estimated to be as high as 8.96×106 M−1 and 3.42×107 M−1 in THF and DMSO, respectively, indicating remarkable stability of dimer. In addition, Zn‐7HPc exhibited chiral self‐sorting behavior, which resulted in preferential formation of a homochiral dimer also in the racemic sample. Two phthalocyanine subunits in the dimeric form strongly communicate with each other as revealed by a large comproportionation constant and observation of an IV‐CT band for the thermodynamically stable mixed‐valence state.
Experimental and simulative investigation of a multistage 2K injection molding process of PA6 and EPDM
Authors: Teich Sebastian , Haberstroh Edmund , Giese Ulrich
Published: August 2021

For investigations on a two‐stage multicomponent injection molding process adhesion‐modified polyamide 6 and EPDM with sulfur‐curing system are used. The influence of different process temperatures is investigated on the basis of a DoE test plan with 15 factor level combinations. Within the scope of additional, more in‐depth investigations, special focus was given to the preheating temperature of the thermoplastic insert. In addition to the experimental work, results from simulations are used to assess the influencing factors. This approach allows a more precise description of the influence of temperature equilibration processes on the crosslinking reaction, especially near the interface between the two components. It is shown that the preheating temperature of the hard component (thermoplastic) in particular has a significant influence on the time course of the crosslinking reaction and ultimately on adhesion to the thermoplastic substrate.
High‐Loading Pt Single‐Atom Catalyst on CeO2‐Modified Diatomite Support
Authors: Zhou Yang , Xi Wei , Xie Zixin , You Zhixin , Jiang Xunzhu , Han Bing , Lang Rui , Wu Chuande
Published: August 2021

Single‐atom catalysis has become a new branch in heterogeneous catalysis. Although the naturally produced SiO2‐based materials are abundant and stable, fabrication of single‐atom catalysts on such supports with high loading remains as a formidable challenge due to the lack of bonding sites to anchor the isolated metal species. Herein, modifying the diatomite, a kind of pure SiO2 mineral, with CeO2 nanoparticles is demonstrated to increase the defect sites on the support. The enhanced metal‐support interaction maintains the atomic dispersion of Pt species with above 1 wt.% loading, exhibiting good performance in the selective hydrogenation of phenylacetylene to styrene.
Metal‐facilitated Photocatalytic Nanohybrids: Rational Design and Promising Environmental Applications
Authors: Zhang Xiaohui , Qin Neng , Cui Hongbo , Guan Guijian , Han Ming‐Yong
Published: August 2021

As a promising technique to potentially address the energy crisis and environmental issues, photocatalysis has been reported widely to exhibit various outstanding behaviors in production of new fuels/chemicals and treatment of contaminants. The photocatalytic performance is extremely dependent on the used photocatalysts, so that the design and preparation of efficient photocatalysts are critically important for significantly improving the photocatalytic activity. Among various strategies, the hybridization of metal with semiconductors has recently been attracting more and more research interest owing to their expended spectral absorption, promoted transferring rate of charge carriers and Plasmon‐enhanced effect. In this minireview, the metal‐facilitated hybrid photocatalysts are overviewed comprehensively to first reveal unique functions of metals in improvement of photoactivity and summarize the emerging metal‐involved hybrid systems. Subsequently, the synthetic methods towards hybrid photocatalysts are introduced and their practical applications are emphasized in environmental remediation including degradation of organic pollutants, conversion of harmful gases, treatment of heavy metal ions and sterilization of bacteria. At the end, the challenges for industrializing these hybrid photocatalysts are discussed carefully and future development is suggested rationally.
Measurements and modeling of lead reduction strategies
Authors: Cornwell David A. , Crawford‐Brown Douglas , Wagner Jacob R. , Brown Richard
Published: August 2021

Three strategies for reducing lead in water and blood lead level (BLL) were evaluated. Approximately 2,500 lead samples from 112 homes were analyzed to estimate lead reduction from full lead service line replacement (FLSLR). Corrosion‐control changes were evaluated using data from more than 20,000 community water systems (CWSs). The reduction in first‐liter median lead for utilities changing corrosion‐control treatment (CCT) to drop the 90th percentile from 15 to 10 μg/L was 0.4 μg/L, while the reduction in lead for the highest 10% of the population in those communities was 3.7 μg/L. Lowering the goal to 5 μg/L resulted in the median and top 10% lead reducing by 0.4 and 4.5 μg/L, respectively, although more utilities and hence children are impacted by the lower goal. The median home had a first‐L and profile average lead reduction of about 2 μg/L following FLSLR. Ten percent of the homes saw a reduction in profile average lead of over 17 μg/L after FLSLR. These reductions in lead were converted to changes in BLL, including the percentage and total number of children with BLL values above 3.5 and 5 μg/dl. Those results show that the reduction in total number of children above these targets is noticeably higher for the 5 μg/L goal due to the difference in impacted population. LSL replacement provides the greatest reduction in number of children above these two candidate target values of BLL.

Article Impact Statement

The largest reduction in BLL resulted from FLSLR. This is consistent with NDWAC report that FLSLR has a larger impact than improving CCT.
Asymmetrical Gemini Surfactants Directed Synthesis Of Hierarchical ZSM‐5 Zeolites and Their Immobilization of Molybdenum Complex for the Catalytic Epoxidation of Alkenes
Authors: Li Pan , Li Angxi , Ruan Renjie , Guo Yingxiong , He Qian , Zou Wenhong , Hou Linxi
Published: August 2021

An eco‐friendly strategy for the synthesis of highly ordered meso‐ and microporous zeolites is required both in academia and industry. Therefore, asymmetrical anionic‐nonionic gemini surfactants, polyoxyethylene laurinol ether sodium sulfoitaconate (Gemini‐n), have been designed, synthesized and used in the directed synthesis of hierarchical ZSM‐5 zeolites (HZSM‐5) by imparting substantial mesoporosity. The hydrothermal temperature, the amount of gemini surfactants and the crystallization time strongly affected the crystallization degree and the textural properties of the HZSM‐5. The tune of the porous size distribution (microporous to mesoporous) can be obtained by varying the number of the ethylene oxide units in the gemini surfactants. Besides, the use of these novel anionic‐nonionic gemini surfactants is an effective strategy to avoid phase‐separation. The existence of abundant hydroxyl groups on the surface of HZSM‐5 was used to immobilize molybdenum compound by the stable Mo−O bond. The complex with abundant intercrystal mesopores exhibited superior catalytic performance with high yield and selectivity for the epoxidation reactions of alkenes as compared to the conventional ZSM‐5. Moreover, the complex presented high catalytic ability after been reused for five times.
Reductive Aldol‐type Reactions in the Synthesis of Pharmaceuticals
Authors: Runikhina Sofiya , Eremin Dmitry , Chusov Denis
Published: August 2021

The efficient chemo‐, regio‐ and stereoselective formation of saturated carbon‐carbon fragment is the critical challenge of organic synthesis; therefore, developing new methods for formation of these bonds is paramount. The rising interest for reductive aldol‐type reactions is conditioned by its versatile applications, allowing the efficient formation of carbon‐carbon bonds. The review aims to highlight the advantages and disadvantage of reductive aldol‐type reactions to total synthesis of pharmaceutical substances in order to summarize knowledge and encourage further investigation of the field.
Amine‐Directed Palladium‐Catalyzed C−H Halogenation of Phenylalanine Derivatives
Authors: Ville Alexia , Annibaletto Julien , Coufourier Sébastien , Hoarau Christophe , Tamion Rodolphe , Journot Guillaume , Schneider Cédric , Brière Jean‐François
Published: August 2021

An efficient primary‐amine‐directed, palladium‐catalyzed C−H halogenation (X=I, Br, Cl) of phenylalanine derivatives is reported on a range of quaternary amino acid (AA) derivatives thanks to suitable conditions employing trifluoroacetic acid as additive. The extension of this original native functionality‐directed ortho‐selective halogenation was even demonstrated with the more challenging native phenylalanine as tertiary AA.
Effectiveness of tacrolimus ointment on facial lesions refractory to topical corticosteroid in patients with atopic dermatitis receiving dupilumab
Authors: Uchida Hideaki , Kamata Masahiro , Egawa Shota , Nagata Mayumi , Fukaya Saki , Hayashi Kotaro , Fukuyasu Atsuko , Tanaka Takamitsu , Ishikawa Takeko , Ohnishi Takamitsu , Tada Yayoi
Published: August 2021

Dupilumab demonstrated high efficacy and tolerable safety profiles in moderate‐to‐severe atopic dermatitis (AD) patients in clinical trials; however, certain patients suffer from facial redness, while obtaining good responses on the trunk and limbs to dupilumab in the real‐world setting. In our study, we investigated the effectiveness of tacrolimus ointment on facial lesions refractory to topical corticosteroid in patients with AD receiving dupilumab. This study included Japanese adult patients with moderate‐to‐severe AD who developed facial lesions during dupilumab treatment and whose facial lesions became refractory to topical corticosteroid treatment. Nine patients (one female, eight males) were included in this study. One patient newly developed facial erythema after initiating dupilumab. Facial lesions were refractory to dupilumab treatment in the other patients. Five of the nine patients showed improvement in EASI scores of head and neck by switching the facial treatment from topical corticosteroid to tacrolimus ointment. The patient who developed newly facial erythema showed improvement after applying tacrolimus ointment. Although we explored the predictors of effectiveness of tacrolimus ointment in patients with facial lesions during dupilumab treatment, no significant differences were observed in age, duration of dupilumab prior treatment, or prior head and neck EASI between patients who showed improvement after changing to tacrolimus and those who did not. Tacrolimus ointment is worth trying if facial lesions are refractory to topical corticosteroid.
A comparative study of pre‐alpha islands in the entorhinal cortex from selected primates and in lissencephaly
Authors: Schön Michael , Nosanova Anastasia , Jacob Christian , Kraus Johann Michael , Kestler Hans A. , Mayer Benjamin , Feldengut Simone , Amunts Katrin , Del Tredici Kelly , Boeckers Tobias M. , Braak Heiko
Published: August 2021

The entorhinal cortex (EC) is the main interface between the sensory association areas of the neocortex and the hippocampus. It is crucial for the evaluation and processing of sensory data for long‐term memory consolidation and shows damage in many brain diseases, for example, neurodegenerative diseases, such as Alzheimer's disease and developmental disorders.

The pre‐alpha layer of the EC in humans (layer II) displays a remarkable distribution of neurons in islands. These cellular islands give rise to a portion of the perforant path—the major reciprocal data stream for neocortical information into the hippocampal formation. However, the functional relevance of the morphological appearance of the pre‐alpha layer in cellular islands and the precise timing of their initial appearance during primate evolution are largely unknown. Here, we conducted a comparative study of the EC from 38 nonhuman primates and Homo sapiens and found a strong relationship between gyrification index (GI) and the presence of the pre‐alpha cellular islands. The formation of cellular islands also correlated with brain and body weight as well as neopallial volume. In the two human lissencephalic cases, the cellular islands in the pre‐alpha layer were lacking. These findings emphasize the relationship between cortical folding and island formation in the EC from an evolutionary perspective and suggest a role in the pathomechanism of developmental brain disorders.
Predicting future CUD using the NIAAA screener in EDs
Authors: Knopf Alison
Published: August 2021

Alcohol and cannabis use by teens both occur, often in tandem, legal or not. Problems can include alcohol use disorder (AUD), cannabis use disorder (CUD), as well as social and academic impairment.
Langmuir probe in magnetized plasma: Study of the diffusion parameter
Authors: Jauberteau Jean‐Louis , Jauberteau Isabelle , Cortázar Osvaldo Daniel , Megía‐Macías Ana
Published: August 2021

In low‐temperature magnetized plasma, Langmuir probe measurements must be corrected because of the electron diffusion through the sheath, which is formed around the probe collector. The correction factor, which is called the electron diffusion or electron sink parameter, depends on many other parameters such as the probe geometry, the electron diffusion coefficient, the sheath thickness, or the potential profile through the sheath. Based on a previous work, we determine the values of this parameter under different experimental conditions and we study the effect of the electron energy, of the probe‐biased voltage, and of the magnetic field intensity on this parameter. The results are compared with theoretical models published in the literature. An empirical equation is determined to fit the diffusion parameter value versus magnetic field intensity.
An SDN‐based technique for reducing handoff times in WiFi networks
Authors: Manzoor Hira , Manzoor Sohaib , Ali Nouman , Sajid Muhammad , Menhas Muhammad Ilyas , Hei Xiaojun
Published: August 2021

The handoff process in WiFi networks has a very important role to provide continuity of the service to wireless users where the access points (APs) are in numerous numbers. In traditional WiFi networks, the handoff process takes a few seconds and is initiated by the wireless devices, but these few seconds could be a reason for information loss when dealing with delay sensitive applications. In this paper, we propose a reduced detection and discovery time approach (DeRy), which generates a solution based on software defined WiFi networks (SD‐WiFi). A simple network management protocol (SNMP) manager and received signal strength indicator (RSSI) manager are employed to report the AP traffic conditions and RSSI values to the SDN controller and instead of the wireless devices, the handoff decisions are taken at the controller end. When to initiate the handoff (detection phase) and which destination AP to associate to (discovery phase) are handled by the centralized SDN controller. To implement DeRy, extensive simulation runs are carried out on Mininet‐NS3‐WiFi network simulator. The simulation results show that the DeRy significantly reduces the handoff times by 60–70% and reduces the average number of retransmission by 4–49%, hence maintaining the throughput for delay sensitive applications such as VoIP, when compared to the standard RSSI‐based handoff scheme, channel measurement based access selection scheme (CMAS) and (DL‐SINR) downlink‐signal to interference plus noise ratio AP selection scheme (DASA).
N‐Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Antimony(III)
Authors: Philipp Michael S. M. , Krahfuss Mirjam J. , Radacki Krzysztof , Radius Udo
Published: August 2021

A systematic study on Lewis‐acid/base adducts of N‐heterocyclic carbenes (NHCs) and the cyclic (alkyl)(amino)carbene cAACMe (1‐(2,6‐di‐iso‐propylphenyl)‐3,3,5,5‐tetramethyl‐pyrrolidin‐2‐ylidene) with antimony(III) chlorides of the general formula SbCl2R (R=Cl, Ph, Mes) is presented. The reaction of the NHCs Me2ImMe (1,3,4,5‐tetra‐methyl‐imidazolin‐2‐ylidene), iPr2ImMe (1,3‐di‐isopropyl‐4,5‐dimethyl‐imidazolin‐2‐ylidene), Mes2Im, Dipp2Im (R2Im=1,3‐di‐organyl‐imidazolin‐2‐ylidene; Mes=2,4,6‐trimethylphenyl, Dipp=2,6‐di‐isopropylphenyl) and cAACMe with antimony(III) compounds SbCl2R (R=Cl (1), Ph (2) and Mes (3)) yields the adducts NHC ⋅ SbCl2R (R=Cl (4), Ph (5) and Mes (6); NHC=Me2ImMe (a), iPr2ImMe (b), Dipp2Im (c) and Mes2Im (d)) and cAACMe ⋅ SbCl2R (R=Cl (4 e) and Ph (5 e)). Thermal treatment of (Dipp2Im) ⋅ SbCl2Ar (Ar=Ph (5 c) and Mes (6 c)) in benzene leads to isomerization to the backbone coordinated aNHC‐adduct aDipp2Im ⋅ SbCl2Ar (Ar=Mes (7) and Ph (8)) (“a” denotes “abnormal” coordination mode of the NHC) in high yields. One of the chloride substituents at antimony of 7 can be abstracted by GaCl3 or Ag[BF4] to obtain the imidazolium salts [aDipp2Im ⋅ SbClMes][BF4] (9) and [aDipp2Im ⋅ SbClMes][GaCl4] (10).
Synthesis, Structure, Photophysics, and Singlet Oxygen Sensitization by a Platinum(II) Complex of Meso‐Tetra‐Acenaphthyl Porphyrin
Authors: Garai Antara , Villa Marco , Marchini Marianna , Patra Sajal Kumar , Pain Tanmoy , Mondal Sruti , Ceroni Paola , Kar Sanjib
Published: August 2021

A new platinum(II) porphyrin complex has been synthesized and characterized via various spectroscopic techniques. Single‐crystal XRD analysis reveals that the geometry around the Pt(II) center is near the perfect square planar geometry. The Pt(II)−N bond distances are in the ranges of 2.005 Å–2.020 Å. The platinum(II) porphyrin derivative exhibited one reversible oxidative couple at +1.10 V and a reversible reductive couple at −1.47 V versus Ag/AgCl. In deaerated dichloromethane solution at 298 K, a strong phosphorescence is observed at 660 nm, with emission quantum yield of 35 % and lifetime of 75 μs. Upon excitation of the acenaphthene chromophores at 300 nm, sensitised phosphorescence of the Pt(II) porphyrin is observed with a unitary efficient energy transfer, demonstrating that this system behaves as a light harvesting antenna. The red phosphorescence is strongly quenched by oxygen, resulting in singlet oxygen production with a very high quantum yield of 88 %. This result indicates that this Pt(II) porphyrin is an excellent photosensitizer for the production of singlet oxygen and will have potential applications in the field of photodynamic therapy as well as oxygen sensors.
Self‐Promoted Glycosylation for the Synthesis of β‐N‐Glycosyl Sulfonyl Amides
Authors: Mała Patrycja , Pedersen Christian Marcus
Published: August 2021

N‐Glycosyl N‐sulfonyl amides have been synthesized by a self‐promoted glycosylation, i. e. without any catalysts, promotors or additives. When the reactions were carried out at lower temperatures a mixture of N‐ and O‐glycosides were observed, where the latter rearranged to give the β‐N‐glycosides at elevated temperatures. By this method sulfonylated asparagine derivatives can be selectively β‐glycosylated in high yields by trichloroacetimidate glycosyl donors of different reactivity including protected glucosamine derivatives. The chemoselectivity in the glycosylations as well as the rearrangements from O‐glycosides to β‐N‐glycosides gives information of the glycosylation mechanism. This method gives access to glycosyl sulfonyl amides under mild conditions.
Security enhancement technologies for smart contracts in the blockchain: A survey
Authors: Wang Yajing , He Jingsha , Zhu Nafei , Yi Yuzi , Zhang Qingqing , Song Hongyu , Xue Ruixin
Published: August 2021

Smart contract has shown its potential in cutting down the cost of administration through reshaping conventional business processes and in expanding the application of blockchain to areas that are beyond the cryptocurrency. However, with the rapid development and wide application of smart contracts, security issues have become a serious concern and have thus attracted widespread attention. As the result, a great deal of effort has been spent on improving and supporting secure development and on the application of smart contracts by introducing new and advanced vulnerability detection and privacy protection techniques in recent years. There is therefore the need for a comprehensive review of the new development on security enhancement technologies of smart contracts for the blockchain. This paper provides a review of the current research status and advances in smart contract security based on related literature published in recent years. Our review is divided into six categories along the line of the technology, which includes symbolic execution, abstract interpretation, fuzz testing, formal verification, deep learning, and privacy enhancement. A comparison of the various tools and methods developed to tackle security issues is provided. Challenges in the research of smart contract security as well as future directions are discussed. This paper intends to provide the inspiration and reference for follow‐up research on the security issues of smart contracts in the blockchain.
Rural influences on the social network dynamics of district nursing services: A qualitative meta‐synthesis
Authors: Gillham Jack , Vassilev Ivaylo , Band Rebecca
Published: August 2021

Background and Aims

As demands on healthcare services grow, fiscal restrictions place increased emphasis on services outside of traditional healthcare settings. Previous research into long‐term‐conditions suggests that social network members (including weaker ties such as acquaintances, community groups, and healthcare professionals) play a key role in illness management. There is limited knowledge about the engagement of social networks in supporting people who are receiving medical interventions at home. This qualitative metasynthesis explores the work and the interactions between district nurses (DN) and informal network members supporting people who are receiving medical interventions at home and living in rural areas.

Methods

A search was undertaken on CINAHL, Medline, and PsychINFO for qualitative research articles from 2009 to 2019. Studies that examined DN in rural locations and/or social network support in rural locations were eligible. Fourteen articles were selected.

Results

Thematic analysis of results and discussion data from the studies resulted in four themes being developed: the development of both transactional and friend‐like nurse‐patient ties in rural localities, engagement of the wider network in the delivery of good care, blurring of professional boundaries in close community relationships, and issues accessing and navigating formal and informal support in the context of diminishing resources in rural areas.

These findings suggest that DNs in rural localities work beyond professional specialties and experience to provide emotional support, help with daily tasks, and build links to communities. There was also evidence that nurses embedded within rural localities developed friend‐like relationships with patients, and negotiated with existing support networks and communities to find support for the patient.

Conclusions

Findings indicated that developing strong links with patients and members of their networks does not automatically translate into positive outcomes for patients, and can be unsustainable, burdensome, and disruptive. DNs developing weak ties with patients and building awareness of the structure of individual networks and local sources of support offers avenues for sustainable and tailored community‐based nursing support.
The influence of patient perception of physician empathy on patient satisfaction among attending physicians working with residents in an emergent care setting
Authors: Kirby Ryan , Knowles Heidi C. , Patel Anant , Alanis Naomi , Rice Colton , d'Etienne James P. , Schrader Chet D. , Zenarosa Nestor R. , Wang Hao
Published: August 2021

Background

It is unclear whether the patient's perception of attending physician empathy and the patient's satisfaction can be affected when attending physicians work alongside residents. We aim to determine the influence residents may have on (1) patient perception of attending physician empathy and (2) patient satisfaction as it relates to their respective attending physicians.

Methods

This is a prospective single‐center observational study. Patient perception of physician empathy was measured using Jefferson Scale of Patient Perception of Physician Empathy (JSPPPE) in both attendings and residents in the Emergency Department. Patient satisfaction with attending physicians and residents was measured by real‐time patient satisfaction survey. Multivariate logistic regressions were performed to determine the association between patient satisfaction and JSPPPE after patient demographics, attending physician different experience, and residents with different years of training were adjusted.

Results

A total of 351 patients were enrolled. Mean JSPPPE scores were 30.1 among attending working alone, 30.1 in attending working with PGY‐1 EM residents, 29.6 in attending working with PGY‐2, and 27.8 in attending working with PGY‐3 (p < 0.05). Strong correlation occurred between attending JSPPPE score and patient satisfaction to attending physicians (ρ > 0.5). The adjusted odds ratio was 1.32 (95% CI 1.23‐1.41, p < 0.001) on attending's JSPPPE score predicting patient satisfaction to the attending physicians. However, there were no significant differences on patient satisfaction among four different groups.

Conclusion

Empathy has strong correlation with patient satisfaction. Decreased patient perception of attending physician empathy was found when working with senior residents in comparison to working alone or with junior residents.
Pseudopotentials for coarse‐grained cross‐link‐assisted modeling of protein structures
Authors: Kogut Mateusz , Gong Zhou , Tang Chun , Liwo Adam
Published: August 2021

Pseudopotentials for the chemical cross‐links comprising the glutamic‐ and aspartic‐acid side chains bridged with adipic‐ (ADH) or pimelic‐acid hydrazide (PDH), and the lysine side chains bridged with glutaric (BS2G) or suberic acid (BS3) for coarse‐grained cross‐link‐assisted simulations were determined by canonical molecular dynamics with the Amber14sb force field. The potentials depend on the distance between side‐chain ends and on side‐chain orientation, this preventing from making cross‐link contacts across the globule in simulations. The potentials were implemented in the UNRES coarse‐grained force field and their effect on the quality of models was assessed with 11 monomeric and 1 dimeric proteins, using synthetic or experimental cross‐link data. Simulations with the new potentials resulted in improvement of the generated models compared to unrestrained simulations in more instances compared to those with the statistical potentials.
The prognostic values of serum markers in hepatocellular carcinoma after invasive therapies based on real‐world data
Authors: Li Bo , Liu Aixia , Wen Yi , Yang Guang , Zhao Jing , Li Xiaohan , Mao Yuanli , Li Boan
Published: August 2021

Background and aims

Hepatocellular carcinoma (HCC) is one of the most common malignancy with poor prognosis, and the mortality rate remains high. More than 70% of HCC patients have recurrence within 5 years after treatment. The purpose of this study is to evaluate the prognostic values of serum markers with retrospective data.

Methods

We applied real‐world data (RWD) to analyze the prognostic values of six serum markers for HCC patients after treatment, including α‐fetoprotein (AFP), α‐fetoprotein‐L3 (AFP‐L3), Golgi protein73 (GP73), alanine aminotransferase (ALT), albumin (ALB), and total bilirubin (TBil). A total of 268 cases were enrolled to analyze recurrence‐free survival (RFS), and 104 cases were used to analyze overall survival (OS).

Results

Our results demonstrated that patients with higher AFP and AFP‐L3 had shorter RFS (p = 0.016 and 0.004), while higher GP73, ALT, and TBil experienced longer RFS (p = 0.000, 0.020, and 0.019). Patients with high‐level GP73, ALT, TBil, and low‐level ALB had significantly higher mortality rate (p=0.035, 0.008, 0.010, and 0.005). Multivariate analysis revealed that GP73 (HR = 1.548, p = 0.001) and ALT (HR = 1.316, p = 0.046) were identified as independent prognostic factors for RFS, ALB (HR = 0.127, p = 0.007), and ALT (HR = 0.237, p = 0.01) were identified as independent prognostic factors for OS. Subgroups analysis showed that GP73 had better prognostic values than other serum markers in early‐stage HCC (p = 0.023).

Conclusions

Our study demonstrates that AFP, AFP‐L3, and GP73 can be used as prognostic indicators for predicting the recurrence of HCC, while liver function tests have better survival prediction values. GP73 can act as a promising prognostic marker for early‐stage HCC.
A latent profile analysis of psychological sense of community and ethnic identity among racial–ethnic minority young adults from the southwestern United States
Authors: Lardier David T. , Opara Ijeoma , Roach Emily
Published: August 2021

Among young adults fof color, both sense of community and ethnic identity, as developmental processes, have been associated with wellness, empowerment, and civic action. Additional research is needed that provides empirical support for the connection between psychological sense of community and ethnic identity on outcomes that relate to human development such as intrapersonal psychological empowerment, civic engagement, and depression symptoms. The current study of young adults of color (N = 243; 70% Hispanic/Chicano(a)/Spanish and 10% American Indian/Native American; 70% female) investigates heterogeneity according to dimensions of psychological sense of community and the ethnic identity construct. Latent profile analyses (LPA) were conducted. Using LPA, five profile groups emerged. Profile group differences were present on reported levels of intrapersonal psychological empowerment, civic engagement, and depression symptoms. Majority of sample participants were classified with moderate to high psychological sense of community and ethnic identity. Findings provide insights for efforts on developing community belongingness based on ethnic group identity and engaging young adults in civic life.
LncRNA NEAT1 induces autophagy through epigenetic regulation of autophagy‐related gene expression in neuroglial cells
Authors: Wang Ziqiang , Zhang Shikuan , Li Kun
Published: August 2021

Endocytosis and autophagy are two important pathways for amyloid‐β (Aβ) clearance in neuroglial cells. Our previous study demonstrated that nuclear paraspeckle assembly transcript 1 (NEAT1) long noncoding RNA modulates Aβ clearance mediated by neuroglial cells via the epigenetic regulation of endocytosis‐related genes. Herein, we demonstrate that NEAT1 functions as an autophagy inducer by modulating the expression of multiple autophagy‐related genes, including autophagy‐related 5 (atg5), autophagy‐related 3 (atg3), and beclin1. NEAT1 can promote transcription of these genes by altering histone modification near these transcriptional start sites of the genes and thereby influencing the recruitment of signal transducer and activator of transcription 3 to these gene promoters. Our findings demonstrate a new cellular function of NEAT1 in neuroglial cells and suggest a potential therapeutic target for the treatment of autophagy‐related diseases.
Pharmacokinetics of Ipatasertib in Subjects With Hepatic Impairment Using 2 Methods of Classification of Hepatic Function
Authors: Sane Rucha , Malhi Vikram , Sutaria Dhruvitkumar S , Cho Eunpi , Twomey Patrick , Craggs Christopher , Wang Jianshuang , Harris Adam , Musib Luna
Published: August 2021

Ipatasertib is a highly selective small‐molecule pan‐Akt inhibitor in clinical development. Ipatasertib is predominantly eliminated by the liver, and therefore, the effect of hepatic impairment on ipatasertib pharmacokinetics (PK) was evaluated. In this phase 1 open‐label, parallel group study, the PK of ipatasertib were evaluated in subjects with hepatic impairment based on both the Child‐Pugh and the National Cancer Institute Organ Dysfunction Working Group classification for hepatic impairment. A single dose of ipatasertib at 100 mg was administered and the PK was characterized in healthy subjects with normal hepatic function or mild, moderate, and severe hepatic impairment. Based on Child‐Pugh classification, subjects with moderate and severe hepatic impairment had an ≈2‐ and 3‐fold increase in systemic exposure (area under the plasma concentration–time curve from time 0 to infinity [AUC0‐∞]) to ipatasertib, respectively, compared to subjects with normal hepatic function. Systemic exposure (AUC0‐∞) to ipatasertib in subjects with mild hepatic impairment was comparable to that in subjects with normal hepatic function. In accordance with reduced clearance capacity, subjects with mild to severe hepatic impairment showed lower systemic exposure (AUC0‐∞) of ipatasertib metabolite M1 (G‐037720). Overall results were comparable between Child‐Pugh and National Cancer Institute Organ Dysfunction Working Group classification criteria. Based on the results from this study, no dosage adjustment is required for ipatasertib when treating patients with mild hepatic impairment, whereas a dose reduction would be recommended for subjects with moderate or severe hepatic impairment. Based on real‐world data analysis, ≈2% of the intended patient population is expected to need a modified dose due to moderate or severe hepatic impairment.