bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of the obturator foramen as a sex assessment trait
Authors: Rennie Samuel R. , Eliopoulos Constantine , Gonzalez Silvia
Published: August 2022

Correctly assessing sex from skeletal remains is one of the main elements of creating a biological profile. Many traits allow for this, the obturator foramen being one. However, research on its accuracy has provided mixed results. This study examines the obturator foramen using a 5-point grading scale to assess the degree of sexual dimorphism in four known age and sex skeletal collections from the UK and South Africa. Overall, sexual dimorphism was found in the obturator foramen when using the new scoring system; however, accuracies for correct sex classification ranged from ~ 46 to ~ 75%. Considering its wide range in accuracy rates across the four samples and difficulty in identifying the subtle changes in morphology, the obturator foramen should only be used as part of a multifactorial assessment of sex.
Low-energy ion channeling in nanocubes
Authors: Choupanian Shiva , Möller Wolfhard , Seyring Martin , Ronning Carsten
Published: August 2022

Focused ion beam (FIB) processing with low-energy ions has become a standard technique for the manipulation of nanostructures. Many underlying ion beam effects that deviate from conventional high-energy ion irradiation of bulk systems are considered today; however, ion channeling with its consequence of significant deeper penetration depth has been only theoretically investigated in this regime. We present here an experimental approach to determine the channeling of low-energy ions in crystalline nanoparticles by measuring the sputter yield derived from scanning electron microscopy (SEM) images taken after irradiation under various incident ion angles. Channeling maps of 30 and 20 keV Ga+ ions in Ag nanocubes have been identified and fit well with the theory. Indeed, channeling has a significant impact on the transport of energetic ions in crystals due to the large critical angle at low ion energies, thus being relevant for any FIB-application. Consequently, the obtained sputter yield clearly differs from amorphous materials; therefore, it is recommended not to rely only on, e.g., ion distribution depths predicted by standard Monte-Carlo (MC) algorithms for amorphous materials.
PTEN-induced kinase 1 enhances the reparative effects of bone marrow mesenchymal stromal cells on mice with renal ischaemia/reperfusion-induced acute kidney injury
Authors: Lin Chenyu , Chen Wen , Han Yong , Sun Yujie , Zhao Xiaoqiong , Yue Yuan , Li Binyu , Fan Wenmei , Zhang Tao , Xiao Li
Published: August 2022

Acute kidney injury (AKI) is a common severe acute syndrome caused by multiple factors and is characterized by a rapid decline in renal function during a short period. Bone marrow mesenchymal stromal cells (BMSCs) are effective in treating AKI. However, the mechanism of their beneficial effects remains unclear. PTEN-induced kinase 1 (PINK1) may play an important role in kidney tissue repair. In this study, we explored the effect of PINK1 overexpression on enhancing BMSC-mediated repair of AKI. In this study, ischaemia/reperfusion-induced AKI (IRI-AKI) in mice and a hypoxia-reoxygenation model in cells were established, and the indices were examined by pathology and immunology experiments. After ischaemia/reperfusion, PINK1 overexpression reduced apoptosis in injured kidney tissue cell, decreased T lymphocyte infiltration, increased macrophage infiltration, and alleviated the inflammatory response. PINK1 relieved the stress response of BMSCs and renal tubular epithelial cells (RTECs), reduced apoptosis, altered the release of inflammatory factors, and reduced the proliferation of peripheral blood mononuclear cells (PBMCs). In conclusion, BMSCs and RTECs undergo stress responses in response to hypoxia, inflammation and other conditions, and overexpressing PINK1 in BMSCs could enhance their ability to resist these stress reactions. Furthermore, PINK1 overexpression can regulate the distribution of immune cells and improve the inflammatory response. The regulation of mitochondrial autophagy during IRI-AKI maintains mitochondrial homeostasis and protects renal function. The results of this study provide new strategies and experimental evidence for BMSC-mediated repair of IRI-AKI.
Eine kurze kulturpsychologische Anleitung für zukünftige Freunde
Authors: von Fircks Enno
Published: August 2022

Liebe zukünftige Freunde, dies ist ein Beitrag für euch. Er dient euch dazu, die Grundlagen von Kulturpsychologie zu verstehen und anzuwenden. Lange habe ich gebraucht, bis ich mir jene Grundlagen angeeignet habe. Nach intensivem Studieren von Standardwerken, der Teilnahme an kulturpsychologischen Seminaren und dem Vorantreiben kleinerer Forschungsprojekte fühle ich mich ermutigt, euch euren Einstieg in die Kulturpsychologie zu erleichtern. Hierbei definiere ich den Kulturbegriff: Kultur ist im Sinn Boeschs ein Handlungsfeld, das anhand von Zielen und Bedürfnissen strukturiert wird. Diese Ziele und Bedürfnisse sind natürlich einem ständigen Wandel durch die Person und durch die Umgebung unterworfen, sodass wir Kultur als etwas inhärent Dynamisches definieren müssen. Somit aktualisieren sich Handlungsfelder entweder durch Aufforderungscharaktere der Person oder der Umgebung. Sprache – so stellen wir später fest – ist dabei das Tor zum Verständnis verschiedenartiger Handlungsfelder, anhand derer wir auch den symbolischen Charakter unserer Umwelt dechiffrieren können. Und natürlich entwickelt sich jede Kultur in einem Prozess, d. h. sie zeigt genetische Elemente, die wir verstehen wollen. Hierbei zeige ich drei methodische Zugänge auf: Trajectory Equifinality Model (TEM), ambivalente Stimuli und Ethnographie, die ich anschaulich präsentiere und mit Beispielen versehe, um jene kulturpsychologischen Prozesse zu verstehen und nachzuzeichnen. Ich beende meine Anleitung mit einem Appell an euch, meine Freunde. Eignet euch die Kulturpsychologie in eurem Sinn, für eure Ziele und Bedürfnisse an und geht euren Weg. Tretet dann in Interaktion mit uns, die wir schon vermeintlich länger dabei sind, und erfrischt uns mit neuen Perspektiven. Bis dahin soll euch diese Anleitung euren Eintritt erleichtern.
Heritage and Design
Authors: Gupta Pamila
Published: August 2022

This Element looks at the relationship between heritage and design by way of a case study approach. It offers up ten distinct portraits of a range of heritage makers located in Goa, a place that has been predicated on its difference, both historical and cultural, from the rest of India. A former Portuguese colonial enclave (1510–1961) surrounded by what was formerly British India (1776–1947), the author attempts to read Goa's heritage as a form of place-ness, a source of inspiration for further design work that taps into the Goa of the twenty-first century. The series of portraits are visual, literary, and sensorial, and take the reader on a heritage tour through a design landscape of villages, markets, photography festivals, tailors and clothing, books, architecture, painting, and decorative museums. They do so in order to explore heritage futures as increasingly dependent on innovation, design, and the role of the individual.
‘Where the Wild Things Are’: Etruscan Hunting and Trophy Display at Poggio Civitate (Murlo), Italy
Authors: Kansa Sarah Whitcher , Tuck Anthony
Published: August 2022

An integrated study of the zooarchaeological, iconographic, and artefactual data from the Etruscan site of Poggio Civitate (Murlo, Italy), inhabited from the eighth to the sixth century bc, reveals intra-site differences in the distribution and disposal of animal body parts and species represented, including wild animals. Smaller mammals and birds that would be trapped are encountered more frequently in the site's workshop area and larger prey (deer, wolf, bear, and aurochs) that would be hunted are found more often in the area of the elite residence. We suggest that some of these remains are evidence that hunting was for the purpose of trophy display by the elites of Poggio Civitate and we discuss the social implications of such an activity in this community.
-adic images of Galois for elliptic curves over (and an appendix with John Voight)
Authors: Rouse Jeremy , Sutherland Andrew V. , Zureick-Brown David
Published: August 2022

We discuss the$\ell $-adic case of Mazur’s ‘Program B’ over$\mathbb {Q}$: the problem of classifying the possible images of$\ell $-adic Galois representations attached to elliptic curvesEover$\mathbb {Q}$, equivalently, classifying the rational points on the corresponding modular curves. The primes$\ell =2$and$\ell \ge 13$are addressed by prior work, so we focus on the remaining primes$\ell = 3, 5, 7, 11$. For each of these$\ell $, we compute the directed graph of arithmetically maximal$\ell $-power level modular curves$X_H$, compute explicit equations for all but three of them and classify the rational points on all of them except$X_{\mathrm {ns}}^{+}(N)$, for$N = 27, 25, 49, 121$and two-level$49$curves of genus$9$whose Jacobians have analytic rank$9$.

Aside from the$\ell $-adic images that are known to arise for infinitely many${\overline {\mathbb {Q}}}$-isomorphism classes of elliptic curves$E/\mathbb {Q}$, we find only 22 exceptional images that arise for any prime$\ell $and any$E/\mathbb {Q}$without complex multiplication; these exceptional images are realised by 20 non-CM rationalj-invariants. We conjecture that this list of 22 exceptional images is complete and show that any counterexamples must arise from unexpected rational points on$X_{\mathrm {ns}}^+(\ell )$with$\ell \ge 19$, or one of the six modular curves noted above. This yields a very efficient algorithm to compute the$\ell $-adic images of Galois for any elliptic curve over$\mathbb {Q}$.

In an appendix with John Voight, we generalise Ribet’s observation that simple abelian varieties attached to newforms on$\Gamma _1(N)$are of$\operatorname {GL}_2$-type; this extends Kolyvagin’s theorem that analytic rank zero implies algebraic rank zero to isogeny factors of the Jacobian of$X_H$.
On the dynamics of extensions of free-abelian times free groups endomorphisms to the completion
Authors: Carvalho André
Published: August 2022

We obtain conditions of uniform continuity for endomorphisms of free-abelian times free groups for the product metric defined by taking the prefix metric in each component and establish an equivalence between uniform continuity for this metric and the preservation of a coarse-median, a concept recently introduced by Fioravanti. Considering the extension of an endomorphism to the completion, we count the number of orbits for the action of the subgroup of fixed points (respectively periodic) points on the set of infinite fixed (respectively periodic) points. Finally, we study the dynamics of infinite points: for automorphisms and some endomorphisms, defined in a precise way, fitting a classification given by Delgado and Ventura, we prove that every infinite point is either periodic or wandering, which implies that the dynamics is asymptotically periodic.
A person-centered approach to resilience and vulnerability in emerging adulthood: Predictions from parenting and personality in adolescence
Authors: de Maat Donna A. , Lucassen Nicole , Shiner Rebecca L. , Prinzie Peter
Published: August 2022

In this person-centered study, we identified different profiles of resilience and vulnerability in emerging adulthood in response to previously experienced stressful life events. Additionally, we examined whether mothers’ and fathers’ parenting and participants’ personality traits in adolescence predicted these profiles. Data from the Flemish Study on Parenting, Personality, and Development (N= 346 families) were used. At T1 (2004;Mage= 11 years), T2 (2007), and T3 (2009), mothers and fathers reported on their parenting and their child’s personality. At T4 (2018;Mage= 25 years), emerging adults retrospectively self-reported the occurrence and impact of 22 stressful life events and rated current behavior problems and subjective well-being. Latent profile analysis revealed three profiles: Competent (71%; low stress, low behavior problems, high subjective well-being), Vulnerable (21%; average stress, high behavior problems, low subjective well-being), and Resilient (9%; high stress, average behavior problems, average subjective well-being). Emerging adults in the Resilient profile had experienced higher levels of maternal positive parenting and were less emotionally stable and conscientious than those in the Competent profile. Furthermore, emerging adults in the Vulnerable profile were less emotionally stable than their peers in the Competent profile. These findings reveal new insights into the heterogeneous patterns of emerging adults’ adaptation following stressful life events.
The role of adolescent social relationships in promoting alcohol resistance: Interrupting the intergenerational transmission of alcohol misuse
Authors: Stephenson Mallory , Aliev Fazil , Kuo Sally I-Chun , Edwards Alexis C. , Pandey Gayathri , Su Jinni , Kamarajan Chella , Dick Danielle , Salvatore Jessica E.
Published: August 2022

Genetic factors contribute to the intergenerational transmission of alcohol misuse, but not all individuals at high genetic risk develop problems. The present study examined adolescent relationships with parents, peers, and romantic partners as predictors of realized resistance, defined as high biological risk for disorder combined with a healthy outcome, to alcohol initiation, heavy episodic drinking, and alcohol use disorder (AUD). Data were from the Collaborative Study on the Genetics of Alcoholism (N = 1,858; 49.9% female; mean age at baseline = 13.91 years). Genetic risk, indexed using family history density and polygenic risk scores for alcohol problems and AUD, was used to define alcohol resistance. Adolescent predictors included parent-child relationship quality, parental monitoring, peer drinking, romantic partner drinking, and social competence. There was little support for the hypothesis that social relationship factors would promote alcohol resistance, with the exception that higher father-child relationship quality was associated with higher resistance to alcohol initiation (
$$\hat \beta $$
= −0.19, 95% CI = −0.35, −0.03). Unexpectedly, social competence was associated with lower resistance to heavy episodic drinking (
$$\hat \beta $$
= 0.10, 95% CI = 0.01, 0.20). This pattern of largely null effects underscores how little is known about resistance processes among those at high genetic risk for AUD.
Palliative care in pediatric patients with central nervous system cancer: Descriptive and comparative study
Authors: de Noriega Iñigo , Martino Alba Ricardo , Herrero Velasco Blanca , Madero López Luis , Lassaletta Álvaro
Published: August 2022

Objectives

Data regarding the palliative needs of pediatric patients with central nervous system (CNS) cancer are scarce. We aimed to describe the attention provided by a pediatric palliative care (PPC) team to patients with CNS cancer and the differences in care compared to patients who did not receive PPC.

Method

This retrospective study was based on the clinical records of deceased patients with CNS cancer attended by a PPC team over 10 years, analyzing their trajectory and provision of PPC, including medical, psychological, social, and nursing interventions. Furthermore, we compared the last month of life care of deceased patients with CNS cancer in the same institution, based on whether they were attended by the PPC team.

Results

Of 71 patients, 59 received PPC, with a median of 1.6 months (Interquartile range: 0.6–5.2) from referral to death. Home hospitalization was provided to 84.8%, nursing interventions were registered in 89.8%, psychological characteristics in 84.7%, and social interventions in 88.1%. The most common symptoms were pain, dyspnea, and constipation. When comparing patients from the same hospital who received PPC (n = 36) with those who did not (n = 12), the former spent fewer days in the hospital in their last month and last week (p < 0.01) and were more likely to die at home (50% vs. 0%; p < 0.01).

Significance of results

Patients with CNS cancer show various medical, social, and psychological needs during end-of-life care. Providing specific PPC interventions decreased the number of days spent at the hospital and increased the rate of death at home.
Extension and Evaluation of University of Washington Moist Turbulence Scheme to Gray‐Zone Scales
Authors: Wei Wei , Peng Xindong , Lin Yanluan , Li Jianduo , Zhang Guo , Yang Yang , Long Jingchao
Published: August 2022

With the rapid improvement in computational resources, it has become possible to structure numerical weather model simulations to use sub‐kilometer grid spacing. Traditional turbulence‐mixing closures have become obsolete within the context of the gray zone of turbulence. Here, a new scale‐aware algorithm (SA‐UW) is developed based on the UW (University of Washington Moist Turbulence) scheme. By dividing both the local and nonlocal vertical turbulence flux into sub‐grid and resolved parts, the partition of sub‐grid turbulence is tuned by a set of well‐acknowledged scale‐dependent relationships. Idealized simulations confirm that the newly developed scheme can adequately reproduce sub‐grid turbulence transport at gray‐zone scales. The inclusion of a nonlocal transport term in the SA‐UW scheme is essential, as it vastly improves the distribution and intensity of coherent structures. The SA‐UW scheme recovers the conventional UW scheme when grid spacing is larger than the turbulence length scale, thereby evincing the sale‐aware capability of the new method. For real‐case simulations, the SA‐UW scheme can capture the diurnal cycle and provide a more accurate vertical structure of temperature and humidity.
Soil CO2 Controls Short‐Term Variation but Climate Regulates Long‐Term Mean of Riverine Inorganic Carbon
Authors: Stewart Bryn , Zhi Wei , Sadayappan Kayalvizhi , Sterle Gary , Harpold Adrian , Li Li
Published: August 2022

The evasion of CO2 from inland waters, a major carbon source to the atmosphere, depends on dissolved inorganic carbon (DIC) concentrations. Our understanding of DIC dynamics across gradients of climate, geology, and vegetation conditions however have remained elusive. To understand its large‐scale patterns and drivers, we collated instantaneous and mean (multiyear average) DIC concentrations from about 100 rivers draining minimally‐impacted watersheds in the contiguous United States. Within individual sites, instantaneous concentrations (C) measured at daily to seasonal scales exhibit a near‐universal response to changes in river discharge (Q) in a negative power law form. High concentrations occur at low discharge when DIC‐enriched groundwater dominates river discharge; low concentrations occur under high flow when relatively DIC‐poor shallow soil water predominates river discharge. Such patterns echo the widely observed increase of soil CO2 and DIC with depth and the shallow‐and‐deep hypothesis that emphasizes the importance of flow paths and source water chemistry. Across sites, mean concentrations (Cm) decrease with increasing mean discharge (Qm), a long‐term climate measure, and reachs maxima at around 200 mm/yr. A parsimonious model reveals that high mean DIC arises from soil CO2 accumulation when rates of DIC‐generating reactions are relatively high compared to its export fluxes in arid climates. Although instantaneous and mean DIC concentrations similarly decrease with increasing discharge, results here highlight their distinct drivers: daily to seasonal‐scale instantaneous concentration variations (C) are controlled by subsurface CO2 distribution over depth (from below), whereas long‐term mean concentrations (Cm) are regulated by climate (from above). The results emphasize the significance of land‐river connectivity via subsurface flow paths. They also underscore the importance of characterizing subsurface CO2 distribution to illuminate belowground processes in order to project the future of water and carbon cycles in a warming climate.
Occurrence and Distribution Patterns of Magnetic Particles Within Stalagmite Growth Laminae
Authors: Shi Taiheng , Ding Jianyv , Zhu Zongmin , Zhang Hongbin , Huang Junhua
Published: August 2022

The concentrations of magnetic particles in stalagmites depend greatly on the regional hydrologic condition, and thus can act as an important proxy for paleoclimate reconstruction. The central axis region of a stalagmite is usually selected for such magnetism study. However, little is known about the distribution and influence factors of exogenetic magnetic particles within the growth laminae. In this study, the occurrence and variations of magnetic particles along the growth laminae of three shape stalagmites were investigated by a set of magnetic measurements, including isothermal remanent magnetization (IRM) acquisition curves and low‐temperature magnetic analysis. The results show the main magnetic remanence carrier is detrital magnetite/maghemite, coexisting with small amounts of hematite and goethite. The distribution of soft magnetic particles along the growth laminae showed different patterns among the three shape stalagmites (dome, cone, and candle). For the dome shape stalagmite, the soft magnetic particle concentrations in all studied growth layers showed an increasing trend from center to edge. Similar patterns were also appeared in the bottom growth layers of the cone and candle shape stalagmites. This edge enrichment of magnetic particles is caused by drip water washing effect. However, such enrichment pattern became weaker or even inverse in the top growth layers of the cone and candle shape stalagmites, indicating that the shapes of stalagmites could also affect the surface distribution of soft magnetic minerals. These uneven distributions of magnetic particles imply that the central axis region of a stalagmite may not always be the optimal specimen for environmental magnetism study.
Trans-genetic effects of circular RNA expression quantitative trait loci and potential causal mechanisms in autism
Authors: Mai Te-Lun , Chen Chia-Ying , Chen Yu-Chen , Chiang Tai-Wei , Chuang Trees-Juen
Published: August 2022

Genetic risk variants and transcriptional expression changes in autism spectrum disorder (ASD) were widely investigated, but their causal relationship remains largely unknown. Circular RNAs (circRNAs) are abundant in brain and often serve as upstream regulators of mRNAs. By integrating RNA-sequencing with genotype data from autistic brains, we assessed expression quantitative trait loci of circRNAs (circQTLs) that cis-regulated expression of nearby circRNAs and trans-regulated expression of distant genes (trans-eGenes) simultaneously. We thus identified 3619 circQTLs that were also trans-eQTLs and constructed 19,804 circQTL-circRNA-trans-eGene regulatory axes. We conducted two different types of approaches, mediation and partial correlation tests (MPT), to determine the axes with mediation effects of circQTLs on trans-eGene expression through circRNA expression. We showed that the mediation effects of the circQTLs (trans-eQTLs) on circRNA expression were positively correlated with the magnitude of circRNA-trans-eGene correlation of expression profile. The positive correlation became more significant after adjustment for the circQTLs. Of the 19,804 axes, 8103 passed MPT. Meanwhile, we performed causal inference test (CIT) and identified 2070 circQTL-trans-eGene-ASD diagnosis propagation paths. We showed that the CIT-passing genes were significantly enriched for ASD risk genes, genes encoding postsynaptic density proteins, and other ASD-relevant genes, supporting the relevance of the CIT-passing genes to ASD pathophysiology. Integration of MPT- and CIT-passing axes further constructed 352 circQTL-circRNA-trans-eGene-ASD diagnosis propagation paths, wherein the circRNA-trans-eGene axes may act as causal mediators for the circQTL-ASD diagnosis associations. These analyses were also successfully applied to an independent dataset from schizophrenia brains. Collectively, this study provided the first framework for systematically investigating trans-genetic effects of circQTLs and inferring the corresponding causal relations in diseases. The identified circQTL-circRNA-trans-eGene regulatory interactions, particularly the internal modules that were previously implicated in the examined disorders, also provided a helpful dataset for further investigating causative biology and cryptic regulatory mechanisms underlying the neuropsychiatric diseases.
The design of a novel arthroscopy shaver
Authors: Gu Xuelian , Yuan Shiting , Xu Pengju , Xiao Shanshe , Liu Wentao , Lai Weiguo , Chen Zhi , Liang Peng , Zhao Gaiping
Published: August 2022

Cases of arthroscopic surgery have increased over the past two decades, and arthroscopic shaver systems have become a commonly used orthopedic tool. Nevertheless, most shavers generally have problems such as the cutting edge is not sharp enough and easy to wear. This paper aims to discuss the structural characteristics of BJKMC’s (Bojin◊ Kinetic Medical) novel arthroscopic shaver, the double serrated blade. The product's design and verification process are outlined. BJKMC’s articular arthroscopy shaver has a “tube in a tube” structure, comprising a stainless steel outer sleeve and a rotating hollow inner tube. The outer sleeve and inner tube have corresponding suction and cutting windows, and there are serrated teeth on the inner and outer casing. To verify the design rationality, it was compared to Dyonics◊’s equivalent product, the Incisor◊ Plus Blade. The appearance, cutting tool hardness, metal pipe roughness, cutting tool wall thickness, tooth profile, and angle, overall structure, and the key dimensions were examined and compared. Compared with Dyonics◊’s Incisor◊ Plus Blade, BJKMC’s Double Serrated Blade had a smoother working surface, harder and thinner blade head. Therefore, BJKMC’s product may have satisfactory performance when it comes to surgery.
A rational approach towards selective ethylene oligomerization via PNP-ligand design with an N-triptycene functionality
Authors: Barman Samir , Jaseer E. A. , Garcia Nestor , Elanany Mohamed , Khawaji Motaz , Xu Wei , Lin Sibo , Alasiri Hassan , Akhtar Muhammad Naseem , Theravalappil Rajesh
Published: August 2022

Novel PNP ligands bearing an N-triptycene backbone were developed and evaluated for selective ethylene oligomerization.
Facile high-yield synthesis and purification of lysine-modified graphene oxide for enhanced drinking water purification
Authors: Mantovani Sebastiano , Khaliha Sara , Marforio Tainah Dorina , Kovtun Alessandro , Favaretto Laura , Tunioli Francesca , Bianchi Antonio , Petrone Gaetana , Liscio Andrea , Palermo Vincenzo , Calvaresi Matteo , Navacchia Maria Luisa , Melucci Manuela
Published: August 2022

Lysine-modified graphene oxide is synthesized and exploited as an adsorbent of emerging contaminants in drinking water.
γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes
Authors: Najera Daniel C. , Peñas-Defrutos Marconi N. , García-Melchor Max , Fout Alison R.
Published: August 2022

γ-Agostic interactions in(MesCCC)Fe–Mes(L) complexes were observed in the crystal structures, NMR data, and DFT calculations.
Piezoelectric energy harvesting of a bismuth halide perovskite stabilised by chiral ammonium cations
Authors: Sahoo Supriya , Deka Nilotpal , Boomishankar Ramamoorthy
Published: August 2022

A chiral Bi(iii) 1D-perovskite {[sCH(MePh)(Me)NH3][BiBr5]}n was synthesized and shown to exhibit piezoelectric polarization. Flexible polymer composites of it were prepared and utilized for the fabrication of nanogenerator devices.
Non-covalent interactions of the hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts
Authors: Buldashov Ivan A. , Medvedev Alexander G. , Mikhaylov Alexey A. , Churakov Andrei V. , Lev Ovadia , Prikhodchenko Petr V.
Published: August 2022

X-ray diffraction of three new stable cocrystals of potassium salts of organic hydroperoxides with molecular hydroperoxides reveals strong charge-assisted ROO−⋯HOOR H-bonds.
Above-room Curie temperature and barrier-layer-dependent tunneling magnetoresistance in 1T-CrO2 monolayer based magnetic tunnel junctions
Authors: Liu Jie , Tang Huan , Gan Min , Chen Hong , Shi Xuan , Yuan Hongkuan
Published: August 2022

1T-CrO2 monolayer based MTJs show a barrier-layer-dependent tunneling magnetoresistance (TMR) ratio.
Time-dependent density functional theory calculations of electronic friction in non-homogeneous media
Authors: Koval Natalia E. , Sánchez-Portal Daniel , Borisov Andrei G. , Díez Muiño Ricardo
Published: August 2022

We assess the reliability of the local density friction approximation and show that, despite the strong approximations involved, it is able to provide a good estimate of the friction force suffered by an atomic particle at a metal surface.
Nonplanar porphyrins: synthesis, properties, and unique functionalities
Authors: Ishizuka Tomoya , Grover Nitika , Kingsbury Christopher J. , Kotani Hiroaki , Senge Mathias O. , Kojima Takahiko
Published: August 2022

This review summarizes the chemistry of nonplanar porphyrins in terms of synthetic strategy, structural features governing their properties, unique functionalities derived from ring distortion, and further development of related research.
Comparison of mononuclear and dinuclear copper(ii) biomimetic complexes: spectroelectrochemical mechanistic study of their catalytic pathways
Authors: Sýs Milan , Kocábová Jana , Klikarová Jitka , Novák Miroslav , Jirásko Robert , Obluková Michaela , Mikysek Tomáš , Sokolová Romana
Published: August 2022

The catecholase-like biomimetic catalysts were proved for their catechol oxidation catalytic activity in the presence of oxygen and the catalytic mechanism was proposed using voltammetry, in situ UV-Vis spectroelectrochemistry and calculations.
Substitution of Hyp (Hyp = Si(SiMe3)3) at metalloid [Ge9(Hyp)3]− clusters using phosphine stabilized Au(i)Cl
Authors: Gienger Christian , Schnepf Andreas
Published: August 2022

The reaction of [Ge9(Hyp)3]− with (nBu3P)AuCl leads in the presence of free nBu3P to [(nBu3P)AuGe9(Hyp)2Au(PnBu3)]2 (Hyp = Si(SiMe3)3), providing further insight into the reaction mechanism of this build-up reaction.
Photo-generation of H2 by heterometallic complexes
Authors: Scalambra Franco , Díaz-Ortega Ismael Francisco , Romerosa Antonio
Published: August 2022

This review focuses on the latest findings on the photochemical production of H2 catalyzed by heterometallic complexes.
A novel route of colloidal chemistry: room temperature reactive interactions between titanium monoxide and silicon monoxide sols produced by laser ablation in liquid resulting in the formation of titanium disilicide
Authors: Křenek Tomáš , Vála Lukáš , Medlín Rostislav , Pola Josef , Jandová Věra , Vavruňková Veronika , Mikysek Petr , Bělský Petr , Koštejn Martin
Published: August 2022

Simple mixing of ablatively prepared ethanolic TiO- and SiO-derived colloids allows the formation of TiSi2, which represents the first case of room temperature reactive interaction between two different colloids.
Improving laser-induced breakdown spectroscopy regression modelsviatransfer learning
Authors: Képeš Erik , Vrábel Jakub , Pořízka Pavel , Kaiser Jozef
Published: August 2022

Calibration datasets can be extended by using artificial neural networks to transform data collected on different LIBS systems. Hence, regression performance can be improved.
Fully unsaturated all-carbon bifluorenylidene-based polymeric frameworks: synthesis and efficient photocatalysis
Authors: Mushtaq Sidra , Bi Shuai , Zhang Fan , Naseer Muhammad Moazzam
Published: August 2022

Conjugated porous polymers with fully unsaturated all-carbon frameworks possess strong visible light-absorbing abilities, enabling efficient photodegradation of dye pollutants.
Role of Keap1-Nrf2/ARE signal transduction pathway in protection of dexmedetomidine preconditioning against myocardial ischemia/reperfusion injury
Authors: Li Hui-xian , Wang Tai-hang , Wu Lin-xin , Xue Fu-shan , Zhang Guo-hua , Yan Tao
Published: August 2022

Objective: To explore the role and mechanism of the Kelch sample related protein-1-nuclear factor erythroid-2 related factor 2/antioxidant response element (Keap1-Nrf2/ARE) signaling pathway in protection of dexmedetomidine (DEX) preconditioning against myocardial ischemia/reperfusion injury (MIRI). Methods: A total of 70 male SD rats were randomly divided into seven equal groups (n=10): blank control (S group), ischemia/reperfusion injury (C group), DEX preconditioning (DEX group), tertiary butylhydroquinone (tBHQ) control (tBHQ group), combined tBHQ and DEX preconditioning (tBHQ+DEX group), all-trans retinoic acid (ATRA) control (ATRA group), and combined ATRA and DEX preconditioning (ATRA+DEX group). Serum creatine kinase-MB (CK-MB) and cardiac troponin I (cTnI) concentrations were measured by ELISA kits, and the infarct size (IS) was assessed by Evan’s blue and 2,3,5-triphenyltetrazolium chloride (TTC) staining. Oxidative stress was assessed through Western blotting for expression of Keap1-Nrf2/ARE pathway members and oxidative stress markers. Results: Cardioprotection of DEX, tBHQ, and tBHQ+DEX preconditioning treatments were shown as lower concentrations of serum CK-MB and cTnI and a smaller IS following MIRI in rats compared with those of MIRI rats without pre-treatment. In addition, tBHQ+DEX preconditioning exhibited stronger myocardial protection compared with DEX preconditioning. Mechanistically, the cardioprotection offered by DEX, tBHQ, and tBHQ+DEX preconditioning treatments was mediated via exerting antioxidant stress through activation of the Keap1-Nrf2/ARE signal transduction pathway. Conversely, the protective effects of DEX were diminished by blocking the Keap1-Nrf2/ARE pathway with inhibitor ATRA. Conclusion: DEX preconditioning protects against MIRI by exerting antioxidant stress through activation of the Keap1-Nrf2/ARE signal transduction pathway, while inhibition of the Keap1-Nrf2/ARE signal transduction pathway reverses the protective effect of DEX preconditioning on MIRI.
Illuminating membrane structural dynamics of fusion and endocytosis with advanced light imaging techniques
Authors: Chan Chung Yu , Faragalla Youssef , Wu Ling-Gang
Published: August 2022

Visualization of cellular dynamics using fluorescent light microscopy has become a reliable and indispensable source of experimental evidence for biological studies. Over the past two decades, the development of super-resolution microscopy platforms coupled with innovations in protein and molecule labeling led to significant biological findings that were previously unobservable due to the barrier of the diffraction limit. As a result, the ability to image the dynamics of cellular processes is vastly enhanced. These imaging tools are extremely useful in cellular physiology for the study of vesicle fusion and endocytosis. In this review, we will explore the power of stimulated emission depletion (STED) and confocal microscopy in combination with various labeling techniques in real-time observation of the membrane transformation of fusion and endocytosis, as well as their underlying mechanisms. We will review how STED and confocal imaging are used to reveal fusion and endocytic membrane transformation processes in live cells, including hemi-fusion; hemi-fission; hemi-to-full fusion; fusion pore opening, expansion, constriction and closure; shrinking or enlargement of the Ω-shape membrane structure after vesicle fusion; sequential compound fusion; and the sequential endocytic membrane transformation from flat- to O-shape via the intermediate Λ- and Ω-shape transition. We will also discuss how the recent development of imaging techniques would impact future studies in the field.
Effects of oxygen and water vapour on adhesion of scale grown on ferritic stainless steels in solid oxide fuel cells
Authors: Nilsonthi Thanasak
Published: August 2022

The adhesion of thermal oxide scale grown at 800°C on ferritic stainless steel AISI 441 proposed as SOFCs interconnectors was investigated. The influence of oxidising atmosphere was considered by 20% O2-N2 or 20% H2O-N2 as the representative cathode and anode atmospheres, respectively. A tensile test in an SEM chamber was used to assess the adhesion behaviour. The spallation of oxide scale on AISI 441 has to important as the candidate of interconnectors in SOFCs. The adhesion energy was considered as strain energy stored in the oxide, which was calculated at the first spallation of scale. The adhesion energy of scale on steel substrate was shown in the range of 173-214 J m-2. The adhesion energy of scale on steel oxidised in water vapour was higher than that in oxygen. This might be due to the presence of a silica layer at the scale-steel interface of steel oxidised in water vapour. The qualitative assessment of scale adhesion in terms of strain initiating the first spallation suggested the good adhesion behaviour of scale grown in the anode atmosphere.
The application of an analytic network process to select vegetarian food for chronic disease patients
Authors: Punyota Wilaitip , Kengpol Athakorn , Rungsaksangmanee Preecha
Published: August 2022

Food is important for patients with chronic diseases. Food choice is a multiple-criteria decision problem because there are so many options and factors to consider. The number of chronic disease patients continues to increase. People with chronic diseases eat a lot of healthy food groups, such as vegetarian foods, because it can help prevent, treat, and lower the risk of chronic diseases. People with chronic diseases should eat vegetarian food. From previous research studies, no research has been done to prioritize the appropriate vegetarian food menus for people with chronic diseases. Therefore, the objective of this research is to prioritize the appropriate vegetarian food menu for patients with three chronic diseases as appropriate for each disease by using the analytic network process. The results show that the model for prioritizing food menus in patients with chronic disease is appropriate and nutritionally correct. The benefits of this research can help support food decisions for consumers with chronic diseases. This model encourages people who suffer from chronic diseases to eat nutritious foods that are appropriate for their condition. Vegetarian food that is appropriate for an individual is referred to as being a part of a sustainable food system.
Paddy straw: an economical substrate for oyster mushroom (Pleurotus ostreatus) cultivation
Authors: Thomas Anne Sahithi Somavarapu , Arivu Sona , Shanmugam Vinodhini , Gundupalli Marttin Paulraj , Amornraksa Suksun
Published: August 2022

Cultivation of the Pleurotus ostreatus, oyster mushroom on paddy straw without supplements was investigated to follow circular economy concept to convert agricultural waste to value added products. Substrate nutrients, mushroom yield, and biological efficiency were determined. Three different extracts were used in this study (methanol, ethyl acetate, and hexane). Antioxidant and scavenging activity was determined using DPPH and H2O2. To find the essential compounds present in the mushrooms, GC-MS was analyzed. It was found that mushroom growth on paddy substrate was less than five days with excess mushroom yield. The biological efficiency was found between 54.5-130.9%, with the moisture of 93%. It was found that C, P, N, and K were integrated into mushrooms with these elements than in the utilized substrate. In DPPH results, the minimum concentration was 37.07 μg/ml, and the maximum was 67.2 μg/ml. IC50 value of 42.6 μg/ml were 50% for inhibition concentration. In H2O2, the minimum concentration was found to be 72.57 μg/ml, and the maximum was 98.02 μg/ml. This concentration indicates that the IC50 value of 84.07 μg/ml can be used in the biological process or component by 50% for inhibition concentration. The compounds include Oxirane, 2-Methyl-3-(1-Methylethyl)-, O-Methylisourea Hydrogen Sulfate, Diethyl Phthalate, 1,1,3,3-Tetrapropoxy- were found commonly in all three extracts. Hence, analysis of mushroom extracts is needed to determine the mechanisms of action of the various components for antimicrobial activity and inhibitory activity. Therefore, paddy straw could be used as an effective and economical substrate for oyster mushroom cultivation.
Platform for probing radiation transport properties of hydrogen at conditions found in the deep interiors of red dwarfs
Authors: Lütgert J. , Bethkenhagen M. , Bachmann B. , Divol L. , Gericke D. O. , Glenzer S. H. , Hall G. N. , Izumi N. , Khan S. F. , Landen O. L. , MacLaren S. A. , Masse L. , Redmer R. , Schörner M. , Schölmerich M. O. , Schumacher S. , Shaffer N. R. , Starrett C. E. , Sterne P. A. , Trosseille C. , Döppner T. , Kraus D.
Published: August 2022

We describe an experimental concept at the National Ignition Facility for specifically tailored spherical implosions to compress hydrogen to extreme densities (up to ∼800× solid density, electron number density ne∼4×1025 cm−3) at moderate temperatures (T∼200 eV), i.e., to conditions, which are relevant to the interiors of red dwarf stars. The dense plasma will be probed by laser-generated x-ray radiation of different photon energy to determine the plasma opacity due to collisional (free–free) absorption and Thomson scattering. The obtained results will benchmark radiation transport models, which in the case for free–free absorption show strong deviations at conditions relevant to red dwarfs. This very first experimental test of free–free opacity models at these extreme states will help to constrain where inside those celestial objects energy transport is dominated by radiation or convection. Moreover, our study will inform models for other important processes in dense plasmas, which are based on electron–ion collisions, e.g., stopping of swift ions or electron–ion temperature relaxation.
Comprehensive study on discharge characteristics in pulsed dielectric barrier discharges with atmospheric He and CO2
Authors: Wang Xu-Cheng , Bai Ji-Xin , Zhang Tai-Heng , Sun Ying , Zhang Yuan-Tao
Published: August 2022

The atmospheric pulsed dielectric barrier discharges have been studied extensively for their huge potential in plasma applications. In this paper, a comprehensive study of discharge characteristics in atmospheric He and CO2 discharges driven by pulsed voltages is carried out by experimental measurements and numerical simulation. The computational data indicate that during a plateau phase in the pulsed CO2 discharge, a strong electric field of 2.6 kV/cm always sustains to drive the heavy ions of CO2+ and CO3− to the surfaces of dielectric material, forming a discharge current density of about 2.5 mA/cm2. The experimental measurements and simulation data show that the duration of the plateau phase has a significant influence on the discharge characteristics of pulsed CO2 discharges but only slightly affects on the discharge evolution in pulsed He discharge. By increasing the duration of the plateau phase, the surface charges accumulated on the dielectric materials are also enhanced, and then, a stronger induced electric field is established in the discharge region, resulting in a larger discharge current density during the pulse fall phase, which is not observed in the pulsed He discharge. In this study, the different discharge behaviors of pulsed He and CO2 discharges are compared in detail, which can enhance the understanding of the underpinning discharge physics, suggesting the optimized ways to utilize pulsed discharges with various plasma-forming gases.
Automatic derivation of many-body theories based on general Fermi vacua
Authors: Evangelista Francesco A.
Published: August 2022

This paper describes Wick&d, an implementation of the algebra of second-quantized operators normal ordered with respect to general correlated references and the corresponding Wick theorem [D. Mukherjee, Chem. Phys. Lett. 274, 561 (1997) and W. Kutzelnigg and D. Mukherjee, J. Chem. Phys. 107, 432 (1997)]. Wick&d employs a compact representation of operators and a backtracking algorithm to efficiently evaluate Wick contractions. Since Wick&d can handle both fully and partially contracted terms, it can be applied to both projective and Fock-space many-body formalisms. To demonstrate the usefulness of  Wick&d, we use it to evaluate the single-reference coupled cluster equations up to octuple excitations and report an automated derivation and implementation of the second-order driven similarity renormalization group multireference perturbation theory.
Progress and challenges on 3D tubular structures and devices of 2D materials
Authors: Wu Binmin , Zhang Ziyu , Wang Chao , Song Enming , Cui Jizhai , Huang Gaoshan , Zhou Peng , Di Zengfeng , Mei Yongfeng
Published: August 2022

Due to their unique structures and properties, emerging two-dimensional (2D) materials have been at the frontier of research in, e.g., materials science, physics, and engineering. Three-dimensional (3D) tubular geometry enables 2D materials unparalleled advantages for various applications, for example, wide-angle infrared photodetectors, extremely sensitive molecular sensors, and memory with high density. Furthermore, 3D tubular structures offer a promising integration platform into chips with a broad range of materials, especially 2D materials. In this Perspective, we highlight state-of-the-art methods to assemble/manufacture 2D materials into 3D tubular structures/devices via self-rolled-up or template methods. These tubular 3D devices inspire unique physical, chemical, and mechanical properties for optical microcavity, photodetector, on-chip electronics, and bubble-propelled microengines. On-chip manufacture of 3D tubular structures/devices provides great opportunity and challenge for 2D materials for More than Moore applications such as unconventional electronics, smart sensors, and miniaturized robots.
Broad chemical transferability in structure-based coarse-graining
Authors: Kanekal Kiran H. , Rudzinski Joseph F. , Bereau Tristan
Published: August 2022

Compared to top-down coarse-grained (CG) models, bottom-up approaches are capable of offering higher structural fidelity. This fidelity results from the tight link to a higher resolution reference, making the CG model chemically specific. Unfortunately, chemical specificity can be at odds with compound-screening strategies, which call for transferable parameterizations. Here, we present an approach to reconcile bottom-up, structure-preserving CG models with chemical transferability. We consider the bottom-up CG parameterization of 3441 C7O2 small-molecule isomers. Our approach combines atomic representations, unsupervised learning, and a large-scale extended-ensemble force-matching parameterization. We first identify a subset of 19 representative molecules, which maximally encode the local environment of all gas-phase conformers. Reference interactions between the 19 representative molecules were obtained from both homogeneous bulk liquids and various binary mixtures. An extended-ensemble parameterization over all 703 state points leads to a CG model that is both structure-based and chemically transferable. Remarkably, the resulting force field is on average more structurally accurate than single-state-point equivalents. Averaging over the extended ensemble acts as a mean-force regularizer, smoothing out both force and structural correlations that are overly specific to a single-state point. Our approach aims at transferability through a set of CG bead types that can be used to easily construct new molecules while retaining the benefits of a structure-based parameterization.