bluuebunny/crossref_metadata_2025 huggingface dataset:
Can group representations based on relational cues warrant the rich inferences typically drawn from group membership?
Authors: Oláh Katalin , Király Ildikó
Published: July 2022

Pietraszewski's model – though promising in many respects – needs to be extended so that it can explain the multitude of rich inferences that people draw from group membership. In this commentary, we highlight some facets of group thinking, especially from the field of developmental psychology, that cannot be unambiguously accounted for by a model that is built solely on relational cues.
Learning agents that acquire representations of social groups
Authors: Leibo Joel Z. , Vezhnevets Alexander Sasha , Eckstein Maria K. , Agapiou John P. , Duéñez-Guzmán Edgar A.
Published: July 2022

Humans are learning agents that acquire social group representations from experience. Here, we discuss how to construct artificial agents capable of this feat. One approach, based on deep reinforcement learning, allows the necessary representations to self-organize. This minimizes the need for hand-engineering, improving robustness and scalability. It also enables “virtual neuroscience” research on the learned representations.
The labelled container: Conceptual development of social group representations
Authors: Gelpi Rebekah A. , Allidina Suraiya , Hoyer Daniel , Cunningham William A.
Published: July 2022

Pietraszewski contends that group representations that rely on a “containment metaphor” fail to adequately capture phenomena of group dynamics such as shifts in allegiances. We argue, in contrast, that social categories allow for computationally efficient, richly structured, and flexible group representations that explain some of the most intriguing aspects of social group behaviour.
Signals and cues of social groups
Authors: Bryant Gregory A. , Bainbridge Constance M.
Published: July 2022

A crucial factor in how we perceive social groups involves the signals and cues emitted by them. Groups signal various properties of their constitution through coordinated behaviors across sensory modalities, influencing receivers' judgments of the group and subsequent interactions. We argue that group communication is a necessary component of a comprehensive computational theory of social groups.
The transfer of foreign modernity in Beijing: the new urban space in the Legation Quarter, 1900–1928
Authors: Huang Xusheng
Published: July 2022

This article suggests that the post-colonial viewpoint could be valuable in understanding Beijing during the colonial crisis between 1900 and 1928. Through the examination of urban space in the Legation Quarter, it pays attention to the emerging special types and forms, as well as the mechanisms behind them, and explains the transposition of a foreign modern cityscape to the local context. The Europeanized district in Beijing was a symbol of Western civilization and the uneven power dynamics in the city, and was regarded as both a spatial model and a competitor for the Chinese government's attempts to create a modern capital.
Use of REGEN-COV in children after heart transplantation for treatment and post-exposure prophylaxis of COVID-19
Authors: Gupta Dipankar , Clifford Stephanie A. , Fricker Frederick J.
Published: July 2022

COVID-19 pandemic continues to evolve and new variants like Delta and Omicron have been discovered. REGEN-COV is a recombinant human monoclonal antibody to the spike protein of SARS-CoV-2 which received emergency use authorisation for treatment and post-exposure prophylaxis in patients with high risk of progression to severe disease. We review our experience with use of REGEN-COV in paediatric heart transplant patients.
Do bilinguals get the joke? Humor comprehension in mono- and bilinguals
Authors: Ezrina Emilia V. , Valian Virginia
Published: July 2022

Understanding jokes may differ between mono- and bilinguals because of differences in lexical access; fluency and sense of humor may also be relevant. Three experiments examined English-language joke comprehension in monolingual (n = 91) and bilingual (n = 111) undergraduates, Russian–English bilinguals (n = 39), and MTurk monolinguals (n = 77). Participants rated jokes and non-jokes in English as funny or not funny. We assessed the effects of bilingualism, language dominance, fluency, sense of humor, experience, and motivation on response time (RT) and sensitivity (d′) in identifying jokes. Bilingualism predicted neither RT nor d′ in mono- and English-dominant bilingual undergraduates; English fluency predicted d′. Russians were slower than English-dominant bilinguals but were more not less sensitive to humor. MTurk monolinguals were faster than undergraduates and equally sensitive; sense of humor predicted sensitivity. Overall, humor processing is alternately affected by fluency, sense of humor, and motivation, depending on the population. Bilingualism per se is not a factor.
PROBABILISTIC ENTAILMENT ON FIRST ORDER LANGUAGES AND REASONING WITH INCONSISTENCIES
Authors: RAFIEE RAD SOROUSH
Published: July 2022

We investigate an approach for drawing logical inference from inconsistent premisses. The main idea in this approach is that the inconsistencies in the premisses should be interpreted as uncertainty of the information. We propose a mechanism, based on Kinght’s [14] study of inconsistency, for revising an inconsistent set of premisses to a minimally uncertain, probabilistically consistent one. We will then generalise the probabilistic entailment relation introduced in [15] for propositional languages to the first order case to draw logical inference from a probabilistic set of premisses. We will show how this combination can allow us to limit the effect of uncertainty introduced by inconsistent premisses to only the reasoning on the part of the premise set that is relevant to the inconsistency.
CircME1 promotes aerobic glycolysis and sunitinib resistance of clear cell renal cell carcinoma through cis-regulation of ME1
Authors: Zhang Ming-xiao , Wang Jia-li , Mo Cheng-qiang , Mao Xiao-peng , Feng Zi-hao , Li Jia-ying , Lin Hai-shan , Song Hong-de , Xu Quan-hui , Wang Ying-han , Lu Jun , Wei Jin-huan , Han Hui , Chen Wei , Mao Hai-ping , Luo Jun-hang , Chen Zhen-hua
Published: July 2022

Circular RNAs (circRNAs) play critical roles in clear cell renal cell carcinoma (ccRCC). However, their involvement in sunitinib resistance remains largely unknown. Herein, we identified a novel circRNA, named circME1, which contributes to sunitinib resistance development in ccRCC. CircME1 also promoted proliferation, migration, and invasion of ccRCC cells. Further mechanism analysis showed that circME1 interacted with U1 snRNP at the promoter of its parental gene ME1, thereby upregulating the expression of ME1, enhancing aerobic glycolysis of ccRCC, and promoting its malignant phenotype. Furthermore, ME1 specific inhibitor could effectively repress the oncogenic functions of circME1. Taken together, our study demonstrates that the circME1/ME1 pathway is involved in ccRCC progression and sunitinib resistance development, which may be exploited for anticancer therapy.
Novel form of collective movement by soil bacteria
Authors: Engelhardt I C , Patko D , Liu Y , Mimault M , de las Heras Martinez G , George T S , MacDonald M , Ptashnyk M , Sukhodub T , Stanley-Wall N R , Holden N , Daniell T J , Dupuy L X
Published: July 2022

Although migrations are essential for soil microorganisms to exploit scarce and heterogeneously distributed resources, bacterial mobility in soil remains poorly studied due to experimental limitations. In this study, time-lapse images collected using live microscopy techniques captured collective and coordinated groups of B. subtilis cells exhibiting “crowd movement”. Groups of B. subtilis cells moved through transparent soil (nafion polymer with particle size resembling sand) toward plant roots and re-arranged dynamically around root tips in the form of elongating and retracting “flocks” resembling collective behaviour usually associated with higher organisms (e.g., bird flocks or fish schools). Genetic analysis reveals B. subtilis flocks are likely driven by the diffusion of extracellular signalling molecules (e.g., chemotaxis, quorum sensing) and may be impacted by the physical obstacles and hydrodynamics encountered in the soil like environment. Our findings advance understanding of bacterial migration through soil matrices and expand known behaviours for coordinated bacterial movement.
Evaluation of the aMAP score for hepatocellular carcinoma surveillance: a realistic opportunity to risk stratify
Authors: Johnson Philip J. , Innes Hamish , Hughes David M. , Kalyuzhnyy Anton , Kumada Takashi , Toyoda Hidenori
Published: July 2022

Background and aims

The aMAP score is a model that predicts risk of hepatocellular carcinoma (HCC) development in patients with chronic hepatitis. Its performance in a ‘real world’ surveillance setting has not yet been ascertained.

Patients and methods

We had access to a cohort of 3473 individuals enrolled in a rigorously implemented and prospectively accrued surveillance programme (patients undergoing regular ultrasound and biomarker examination between 1998 and 2021). During this period 445 had HCC detected. Of these, 77.8% had early stage disease (within Milan criteria), permitting potentially curative therapy to be implemented in nearly 70% of cases. We applied the recently developed aMAP score to classify patients according to their initial aMAP score in to low, medium and high-risk groups as proposed in the original publication. The performance of the aMAP score was assessed according to the concordance-index and calibration (i.e. agreement between observed and predicted risk). Allowance was made for competing causes of death.

Results

The aMAP score achieved an overall C-index of 0.81 (95% CI: 0.79–0.82) consistent with the initial report and was unaffected by allowance for competing causes of death. Sub-group analysis showed that the results did not change significantly according to gender, or aetiology. However, aMAP discrimination was greater for younger individuals (versus older individuals), and also for individuals without cirrhosis. The HCC incidence rate was 0.98, 7.05 and 29.1 events per 1000 person-years in the low-, moderate- and high-risk aMAP groups, respectively.

Conclusions

The results from this ‘real-world’ cohort demonstrate that risk stratification is a realistic prospect and that identification of a subgroup of chronic liver disease patients who have a very low risk of HCC is feasible.
A cryptic third active site in cyanophycin synthetase creates primers for polymerization
Authors: Sharon Itai , Pinus Sharon , Grogg Marcel , Moitessier Nicolas , Hilvert Donald , Schmeing T. Martin
Published: July 2022

Cyanophycin is a nitrogen reserve biopolymer in many bacteria that has promising industrial applications. Made by cyanophycin synthetase 1 (CphA1), it has a poly-L-Asp backbone with L-Arg residues attached to each aspartate sidechain. CphA1s are thought to typically require existing segments of cyanophycin to act as primers for cyanophycin polymerization. In this study, we show that most CphA1s will not require exogenous primers and discover the surprising cause of primer independence: CphA1 can make minute quantities of cyanophycin without primer, and an unexpected, cryptic metallopeptidase-like active site in the N-terminal domain of many CphA1s digests these into primers, solving the problem of primer availability. We present co-complex cryo-EM structures, make mutations that transition CphA1s between primer dependence and independence, and demonstrate that primer dependence can be a limiting factor for cyanophycin production in heterologous hosts. In CphA1, domains with opposite catalytic activities combine into a remarkable, self-sufficient, biosynthetic nanomachine.
Multiple social encounters can eliminate Crozier’s paradox and stabilise genetic kin recognition
Authors: Scott Thomas W. , Grafen Alan , West Stuart A.
Published: July 2022

Crozier’s paradox suggests that genetic kin recognition will not be evolutionarily stable. The problem is that more common tags (markers) are more likely to be recognised and helped. This causes common tags to increase in frequency, and hence eliminates the genetic variability that is required for genetic kin recognition. It has therefore been assumed that genetic kin recognition can only be stable if there is some other factor maintaining tag diversity, such as the advantage of rare alleles in host-parasite interactions. We show that allowing for multiple social encounters before each social interaction can eliminate Crozier’s paradox, because it allows individuals with rare tags to find others with the same tag. We also show that rare tags are better indicators of relatedness, and hence better at helping individuals avoid interactions with non-cooperative cheats. Consequently, genetic kin recognition provides an advantage to rare tags that maintains tag diversity, and stabilises itself.
Contrasting behaviour under pressure reveals the reasons for pyramidalization in tris(amido)uranium(III) and tris(arylthiolate) uranium(III) molecules
Authors: Price Amy N. , Berryman Victoria , Ochiai Tatsumi , Shephard Jacob J. , Parsons Simon , Kaltsoyannis Nikolas , Arnold Polly L.
Published: July 2022

A range of reasons has been suggested for why many low-coordinate complexes across the periodic table exhibit a geometry that is bent, rather a higher symmetry that would best separate the ligands. The dominating reason or reasons are still debated. Here we show that two pyramidal UX3 molecules, in which X is a bulky anionic ligand, show opposite behaviour upon pressurisation in the solid state. UN″3 (UN3, N″ = N(SiMe3)2) increases in pyramidalization between ambient pressure and 4.08 GPa, while U(SAr)3 (US3, SAr = S-C6H2-tBu3−2,4,6) undergoes pressure-induced planarization. This capacity for planarization enables the use of X-ray structural and computational analyses to explore the four hypotheses normally put forward for this pyramidalization. The pyramidality of UN3, which increases with pressure, is favoured by increased dipole and reduction in molecular volume, the two factors outweighing the slight increase in metal-ligand agostic interactions that would be formed if it was planar. The ambient pressure pyramidal geometry of US3 is favoured by the induced dipole moment and agostic bond formation but these are weaker drivers than in UN3; the pressure-induced planarization of US3 is promoted by the lower molecular volume of US3 when it is planar compared to when it is pyramidal.
Pattern decorrelation in the mouse medial prefrontal cortex enables social preference and requires MeCP2
Authors: Xu Pan , Yue Yuanlei , Su Juntao , Sun Xiaoqian , Du Hongfei , Liu Zhichao , Simha Rahul , Zhou Jianhui , Zeng Chen , Lu Hui
Published: July 2022

Sociability is crucial for survival, whereas social avoidance is a feature of disorders such as Rett syndrome, which is caused by loss-of-function mutations in MECP2. To understand how a preference for social interactions is encoded, we used in vivo calcium imaging to compare medial prefrontal cortex (mPFC) activity in female wild-type and Mecp2-heterozygous mice during three-chamber tests. We found that mPFC pyramidal neurons in Mecp2-deficient mice are hypo-responsive to both social and nonsocial stimuli. Hypothesizing that this limited dynamic range restricts the circuit’s ability to disambiguate coactivity patterns for different stimuli, we suppressed the mPFC in wild-type mice and found that this eliminated both pattern decorrelation and social preference. Conversely, stimulating the mPFC in MeCP2-deficient mice restored social preference, but only if it was sufficient to restore pattern decorrelation. A loss of social preference could thus indicate impaired pattern decorrelation rather than true social avoidance.
Waveguide-integrated mid-infrared photodetection using graphene on a scalable chalcogenide glass platform
Authors: Goldstein Jordan , Lin Hongtao , Deckoff-Jones Skylar , Hempel Marek , Lu Ang-Yu , Richardson Kathleen A. , Palacios Tomás , Kong Jing , Hu Juejun , Englund Dirk
Published: July 2022

The development of compact and fieldable mid-infrared (mid-IR) spectroscopy devices represents a critical challenge for distributed sensing with applications from gas leak detection to environmental monitoring. Recent work has focused on mid-IR photonic integrated circuit (PIC) sensing platforms and waveguide-integrated mid-IR light sources and detectors based on semiconductors such as PbTe, black phosphorus and tellurene. However, material bandgaps and reliance on SiO2 substrates limit operation to wavelengths λ ≲ 4 μm. Here we overcome these challenges with a chalcogenide glass-on-CaF2 PIC architecture incorporating split-gate photothermoelectric graphene photodetectors. Our design extends operation to λ = 5.2 μm with a Johnson noise-limited noise-equivalent power of 1.1 nW/Hz1/2, no fall-off in photoresponse up to f = 1 MHz, and a predicted 3-dB bandwidth of f3dB > 1 GHz. This mid-IR PIC platform readily extends to longer wavelengths and opens the door to applications from distributed gas sensing and portable dual comb spectroscopy to weather-resilient free space optical communications.
Origin of giant electric-field-induced strain in faulted alkali niobate films
Authors: Waqar Moaz , Wu Haijun , Ong Khuong Phuong , Liu Huajun , Li Changjian , Yang Ping , Zang Wenjie , Liew Weng Heng , Diao Caozheng , Xi Shibo , Singh David J. , He Qian , Yao Kui , Pennycook Stephen J. , Wang John
Published: July 2022

A large electromechanical response in ferroelectrics is highly desirable for developing high-performance sensors and actuators. Enhanced electromechanical coupling in ferroelectrics is usually obtained at morphotropic phase boundaries requiring stoichiometric control of complex compositions. Recently it was shown that giant piezoelectricity can be obtained in films with nanopillar structures. Here, we elucidate its origin in terms of atomic structure and demonstrate a different system with a greatly enhanced response. This is in non-stoichiometric potassium sodium niobate epitaxial thin films with a high density of self-assembled planar faults. A giant piezoelectric coefficient of ∼1900 picometer per volt is demonstrated at 1 kHz, which is almost double the highest ever reported effective piezoelectric response in any existing thin films. The large oxygen octahedral distortions and the coupling between the structural distortion and polarization orientation mediated by charge redistribution at the planar faults enable the giant electric-field-induced strain. Our findings demonstrate an important mechanism for realizing the unprecedentedly giant electromechanical coupling and can be extended to many other material functions by engineering lattice faults in non-stoichiometric compositions.
Prevalence of dyslipidemia and its association with opium consumption in the Rafsanjan cohort study
Authors: Jamali Zahra , Noroozi Karimabad Mojgan , Khalili Parvin , Sadeghi Tabandeh , Sayadi Ahmadreza , Mohammadakbari Rostamabadi Faegheh , La Vecchia Carlo , Esmaeili-Nadimi Ali
Published: July 2022

The potential effects of opium consumption on lipid profile remain unquantified. We considered the association between opium use and dyslipidemia. In this cross-sectional study, we used data obtained from the Rafsanjan cohort study, as a part of the prospective epidemiological research studies in IrAN (PERSIAN) with detailed and validated data on opium consumption and selected other exposures. A total of 9932 adults were included in the study. Logistic regression models were used to assess the relationships of opium consumption with the prevalence of dyslipidemia and lipid disorders. In this population, 73.33% had dyslipidemia and the prevalence rates of high TC, high TG, high LDL and low HDL were 54.24%, 47.45%, 34.43% and 11.91% respectively. After adjustment for all confounders, opium users compared with non-users had lower odds ratios (OR) of high TC and high LDL [0.81 (95% confidence interval, CI 0.71–0.92) and 0.80 (95% CI 0.69–0.93) respectively] and greater OR of low HDL [1.30 (95% CI 1.04–1.62)]. Longer duration of opium consumption resulted in lower ORs of high TC, 0.68 (95% CI 0.55–0.84) and high LDL, 0.82 (95% CI 0.67–0.99), and shorter duration of opium consumption resulted in increased odds of low HDL, 1.30 (95% CI 1.02–1.66). High dose of opium consumption was associated with an OR of dyslipidemia of 0.80 (95% CI 0.65–0.97), high TC of 0.80 (95% CI 0.67–0.95), and high LDL of 0.78 (95% CI 0.64–0.96) and low dose of opium consumption, with an OR of low HDL of 1.30 (95% CI 1.02–1.65). In relation to route of consumption, opium smoking was a risk factor for low HDL with an adjusted odds ratio of 1.31 (1.04–1.63). Opium use was associated with selected changes on serum lipid levels, but opium users had higher frequency of cardiovascular disease history.
COVID-19 forecasts using Internet search information in the United States
Authors: Ma Simin , Yang Shihao
Published: July 2022

As the COVID-19 ravaging through the globe, accurate forecasts of the disease spread are crucial for situational awareness, resource allocation, and public health decision-making. Alternative to the traditional disease surveillance data collected by the United States (US) Centers for Disease Control and Prevention (CDC), big data from Internet such as online search volumes also contain valuable information for tracking infectious disease dynamics such as influenza epidemic. In this study, we develop a statistical model using Internet search volume of relevant queries to track and predict COVID-19 pandemic in the United States. Inspired by the strong association between COVID-19 death trend and symptom-related search queries such as “loss of taste”, we combine search volume information with COVID-19 time series information for US national level forecasts, while leveraging the cross-state cross-resolution spatial temporal framework, pooling information from search volume and COVID-19 reports across regions for state level predictions. Lastly, we aggregate the state-level frameworks in an ensemble fashion to produce the final state-level 4-week forecasts. Our method outperforms the baseline time-series model, while performing reasonably against other publicly available benchmark models for both national and state level forecast.
Scalar on time-by-distribution regression and its application for modelling associations between daily-living physical activity and cognitive functions in Alzheimer’s Disease
Authors: Ghosal Rahul , Varma Vijay R. , Volfson Dmitri , Urbanek Jacek , Hausdorff Jeffrey M. , Watts Amber , Zipunnikov Vadim
Published: July 2022

Wearable data is a rich source of information that can provide a deeper understanding of links between human behaviors and human health. Existing modelling approaches use wearable data summarized at subject level via scalar summaries in regression, temporal (time-of-day) curves in functional data analysis (FDA), and distributions in distributional data analysis (DDA). We propose to capture temporally local distributional information in wearable data using subject-specific time-by-distribution (TD) data objects. Specifically, we develop scalar on time-by-distribution regression (SOTDR) to model associations between scalar response of interest such as health outcomes or disease status and TD predictors. Additionally, we show that TD data objects can be parsimoniously represented via a collection of time-varying L-moments that capture distributional changes over the time-of-day. The proposed method is applied to the accelerometry study of mild Alzheimer’s disease (AD). We found that mild AD is significantly associated with reduced upper quantile levels of physical activity, particularly during morning hours. In-sample cross validation demonstrated that TD predictors attain much stronger associations with clinical cognitive scales of attention, verbal memory, and executive function when compared to predictors summarized via scalar total activity counts, temporal functional curves, and quantile functions. Taken together, the present results suggest that SOTDR analysis provides novel insights into cognitive function and AD.
Green synthesis of novel stable biogenic gold nanoparticles for breast cancer therapeutics via the induction of extrinsic and intrinsic pathways
Authors: El-Deeb Nehal M. , Khattab Sara M. , Abu-Youssef Morsy A. , Badr Ahmed M. A.
Published: July 2022

Biosynthesis of gold nanoparticles (AuNPs) using algal polysaccharides is a simple, low-cost, and an eco-friendly approach. In the current study, different concentrations of Arthospira platensis exopolysaccharides (EPS) were used to synthetize AuNPs via the reduction of gold ions. The biologically synthesized AuNPs (AuNPs1, AuNPs2, AuNPs3) were prepared in 3 different forms through the utilization of three different ratios of EPS-reducing agents. AuNPs analysis confirmed the spherical shape of the EPS-coated AuNPs. Furthermore, AuNPs prepared by EPS and l-ascorbic acid (AuNPs3) showed more stability than the AuNPs colloidal solution that was prepared using only l-ascorbic acid. Analysis of the antimicrobial effects of AuNPs showed that E. coli was the most sensitive bacterial species for AuNPs3 and AuNPs1 with inhibition percentages of 88.92 and 83.13%, respectively. Also, safety assay results revealed that AuNPs3 was the safest biogenic AuNPs for the tested noncancerous cell line. The anticancer assays of the biogenic AuNPs1, AuNPs2, and AuNPs3 against MCF-7 cell line indicated that this cell line was the most sensitive cell line to all treatments and it showed inhibition percentages of 66.2%, 57.3%, and 70.2% to the three tested AuNPs, respectively. The AuNPs also showed abilities to arrest MCF-7 cells in the S phase (77.34%) and increased the cellular population in the sub G0 phase. Gene expression analysis showed that AuNPs3 down regulated Bcl2, Ikapα, and Survivn genes in MCF-7 treated-cells. Also, transmission electron microscopy (TEM) analysis of MCf-7 cells revealed that AuNPs 3 and AuNPs2 were localized in cell vacuoles, cytoplasm, and perinuclear region.
Wireless light energy harvesting and communication in a waterproof GaN optoelectronic system
Authors: Gao Xumin , Liu Pengzhan , Yin Qingxi , Wang Hao , Fu Jianwei , Hu Fangren , Jiang Yuan , Zhu Hongbo , Wang Yongjin
Published: July 2022

Wireless technologies can be used to track and observe freely moving animals. InGaN/GaN light-emitting diodes (LEDs) allow for underwater optical wireless communication due to the small water attenuation in the blue-green spectrum region. GaN-based quantum well diodes can also harvest and detect light. Here, we report a monolithic GaN optoelectronic system (MGOS) that integrates an energy harvester, LED and SiO2/TiO2 distributed Bragg reflector (DBR) into a single chip. The DBR serves as waterproof layer as well as optical filter. The waterproof MGOS can operate in boiling water and ice without external interconnect circuits. The units transform coded information from an external light source into electrical energy and directly activate the LEDs for illumination and relaying light information. We demonstrate that our MGOS chips, when attached to Carassius auratus fish freely swimming in a water tank, simultaneously conduct wireless energy harvesting and light communication. Our devices could be useful for tracking, observation and interacting with aquatic animals.
An active tumor-targeting organic photochemotherapy agent with naproxen for enhanced cancer therapy
Authors: Xu Chang , Chang Jinjie , Li Yanhua , Wang Kaiye , Pan Wei , Wang Hongyu , Li Na , Tang Bo
Published: July 2022

An active tumor-targeting organic photochemotherapy agentviathe combination of a photothermal material and naproxen was developed to precisely kill cancer cells and suppress the inflammatory response induced by cell necrosis.
Photoinduced carbamoylation reactions: unlocking new reactivities towards amide synthesis
Authors: Matsuo Bianca T. , Oliveira Pedro H. R. , Pissinati Emanuele F. , Vega Kimberly B. , de Jesus Iva S. , Correia Jose Tiago M. , Paixao Márcio
Published: July 2022

In this review, we summarize the latest advances for the amide moiety installation through photoinduced carbamoylation protocols.
Carbon content drives high temperature superconductivity in a carbonaceous sulfur hydride below 100 GPa
Authors: Smith G. Alexander , Collings Ines E. , Snider Elliot , Smith Dean , Petitgirard Sylvain , Smith Jesse S. , White Melanie , Jones Elyse , Ellison Paul , Lawler Keith V. , Dias Ranga P. , Salamat Ashkan
Published: July 2022

Carbon concentration greatly influences structural and electronic properties of carbonaceous sulfur hydride, almost halving the pressure required for high-TC superconductivity.
Ascorbate-assisted nitric oxide release from photocontrollable nitrosonium ion releasers for potent ex vivo photovasodilation
Authors: Ieda Naoya , Yoshikawa Yuka , Tomita Natsumi , Ohkubo Kei , Hotta Yuji , Kawaguchi Mitsuyasu , Kimura Kazunori , Nakagawa Hidehiko
Published: July 2022

We found that N-nitrosoaminoanisole derivatives tethered to dyes work as photocontrollable nitrosonium cation releasers and are converted to potent nitric oxide releasers in the presence of sodium ascorbate.
C(sp3)–H Ritter amination by excitation of in situ generated iodine(iii)–BF3 complexes
Authors: Narobe Rok , Murugesan Kathiravan , Haag Christoph , Schirmer Tobias Emanuel , König Burkhard
Published: July 2022

Metal and photocatalyst-free synthesis of amines from abundant C(sp3)–H bonds via in situ generated iodine(iii)–BF3 complexes.
Effect of alkali metal cations on network rearrangement in polyisoprene ionomers
Authors: Miwa Yohei , Hasegawa Koki , Udagawa Taro , Shinke Yu , Kutsumizu Shoichi
Published: July 2022

We examined the effects of alkali metal cations, Li+, Na+, and Cs+, on the internal structures of ionic aggregates and network rearrangement via interaggregate hopping of metal carboxylates in carboxylated polyisoprene ionomers.
Bridging capital discipline and energy scenarios
Authors: Uden Sam , Socolow Robert , Greig Chris
Published: July 2022

Asset developer decision-making is often neglected in energy systems models. We describe a new reverse-engineering method to bridge this gap, informing key policy and investment interventions needed to achieve ambitious net-zero targets.
Toward cleaner production of nanocellulose: a review and evaluation
Authors: Ai Yusen , Zhang Lei , Cui Mei , Huang Renliang , Qi Wei , He Zhimin , Klemeš Jiří Jaromír , Su Rongxin
Published: July 2022

Nanocellulose has become a hotspot in the field of green and sustainable materials. The research status of nanocellulose in cleaner production and its environmental assessments were reviewed.
Halometallate ionic liquids: thermal properties, decomposition pathways, and life cycle considerations
Authors: Clarke Coby J. , Baaqel Husain , Matthews Richard P. , Chen Yiyan , Lovelock Kevin R. J. , Hallett Jason P. , Licence Peter
Published: July 2022

A balance between cost, impact, and physicochemical properties is crucial for halometallate ILs, especially considering their susceptibility to catalytic poisoning.
Au–Pd@ZnO alloy nanoparticles: a promising heterogeneous photocatalyst toward decarboxylative trifluoromethylation under visible-light irradiation
Authors: Bazyar Zahra , Tavakoliana Mina , Hosseini-Sarvari Mona
Published: July 2022

Au–Pd@ZnO alloy nanoparticles have promising potential as heterogeneous photocatalysts for decarboxylative trifluoromethylation reactions under visible light irradiation.
Oxidative C–C/C–X coupling in organometallic nickel complexes: insights from DFT
Authors: Sabapathi Gopal , Venuvanalingam Ponnambalam
Published: July 2022

NiIII and NiIV-center complexes prefer direct reductive elimination than reacting through five-coordinate intermediates. 32+ complex in the presence of Cl− undergoes Cl–Csp2 elimination preferably over Cl–Csp3 and Csp3–Csp2 elimination.
Room-temperature formation of alloy ZnxCd13−xSe13 magic-size clusters via cation exchange in diamine solution
Authors: Zhu Weijun , Lin Zhuohan , Zhang Xue , Wang Wei , Li Yan
Published: July 2022

Alloy ZnxCd13−xSe13 MSCs (x = 1–12) with a unique sharp absorption peak at 352 nm are prepared by cation exchange between Cd2+ ions and pre-synthesized (ZnSe)13 MSCs in diamine solution at room temperature.
Multiple aggregates from multiple polymorphs: structural and mechanistic insight into organic dye aggregates
Authors: Hogan David T. , Sutherland Todd C.
Published: July 2022

This case study provides evidence for the appearance of multiple aggregation forms of a single organic dye, arising from its packing polymorphs in the solid state.
Redox activated amines in the organophotoinduced alkylation of coumarins
Authors: Singh Shashank , Tripathi Krishna N. , Singh Ravi P.
Published: July 2022

A metal-free photoinduced deaminative strategy for C-4 alkylation of coumarins using redox activated secondary and benzylic amine derived Katritzky pyridinium salts has been established and demonstrated efficiently.
Correction: Enhanced transglycosylation activity of an Endo-F3 mutant by ligand-directed localization
Authors: Zou Xiangman , Liu Zhi , Liu Liya , Shi Wei , Li Wanzhen , Guo Zifen , Tang Feng , Huang Wei
Published: July 2022

Correction for ‘Enhanced transglycosylation activity of an Endo-F3 mutant by ligand-directed localization’ by Xiangman Zou et al., Org. Biomol. Chem., 2022, 20, 3086–3095, https://doi.org/10.1039/D2OB00030J.
Excited-state palladium-catalysed reductive alkylation of imines: scope and mechanism
Authors: Kancherla Rajesh , Muralirajan Krishnamoorthy , Rueping Magnus
Published: July 2022

Palladium catalysis induced by visible-light irradiation is a promising tool for promoting unusual chemical reactivity. Here, the hybrid alkyl radical/Pd(i) species generated is used to promote the reductive alkylation of imines.
Carbocation catalysis in confined space: activation of trityl chloride inside the hexameric resorcinarene capsule
Authors: De Rosa Margherita , Gambaro Stefania , Soriente Annunziata , Della Sala Paolo , Iuliano Veronica , Talotta Carmen , Gaeta Carmine , Rescifina Antonio , Neri Placido
Published: July 2022

The hexameric resorcinarene capsule is able to promote carbocation catalysis inside its cavity.
Comparison of Lingual Pressure Generation Capacity in Parkinson Disease, Amyotrophic Lateral Sclerosis, and Healthy Aging
Authors: Gandhi Pooja , Plowman Emily K. , Steele Catriona M.
Published: July 2022

Purpose:

The tongue plays a key role in bolus propulsion during swallowing, with reduced lingual pressure generation representing a risk factor for impaired swallowing safety and efficiency. We compared lingual pressure generation capacity in people with Parkinson disease (PwPD), people with amyotrophic lateral sclerosis (PwALS), and healthy older adults. We hypothesized that both patient cohorts would demonstrate reduced maximum anterior isometric pressure (MAIP) and regular effort saliva swallow (RESS) pressures compared with healthy controls, with the greatest reductions expected in the ALS cohort.

Method:

We enrolled 20 PwPD, 18 PwALS, and 20 healthy adults over 60 years of age. The Iowa Oral Performance Instrument was used to measure MAIP, RESS, and lingual functional reserve (LFR, i.e., MAIP – RESS). Descriptive statistics were calculated; between-groups differences were explored using univariate analyses of variance and post hoc Sidak tests with alpha set at .05.

Results:

Mean MAIPs for the PD, ALS, and heathy cohorts were 54.7, 33.5, and 47.4 kPa, respectively. Significantly lower MAIP was found in PwALS compared with PwPD and healthy controls. RESS values did not differ significantly across groups. LFR was significantly higher in PwPD versus PwALS and healthy controls.

Conclusions:

Lingual pressure generation capacity and functional reserve were reduced in PwALS, but not in PwPD, beyond changes seen with healthy aging. Both patient cohorts displayed preserved lingual pressure during saliva swallows. Future studies exploring longitudinal changes in tongue pressure generation on isometric and saliva swallowing tasks will be needed to confirm whether tongue pressure measures serve as noninvasive clinical biomarkers of swallowing impairment.
New magnetic isolation winding for modular multiple three‐phase permanent‐magnet machine with mixed‐layer
Authors: Seo Jangho , Seo Jung‐Moo , Kim Rae‐Eun
Published: July 2022

In large scale permanent magnet (PM) machines, such as direct drive wind power generators, stator modularity is widely used for easy manufacturing and to protect the winding from mechanical damage due to being exposed to air. Multiple three‐phase systems that use commercial inverters provide not only a fault‐tolerant operation but also price competitiveness. Although the conventional modular structure of a concentrated single‐layer or distributed winding shows good performance, a large magnetic mutual interference between coils is inevitable. Consequently, if conventional windings are applied to multiple three‐phase systems, complexity and difficulty for controlling the machine can arise. This study proposes a new magnetic isolation winding scheme for modular multiple three‐phase PM machines with a mixed layer to deal with the abovementioned limitation. For comparison, five different modular multiple‐three phase PM machines with a mixed‐layer winding (MMPM) are presented and three conventional modular types are selected. Then, several simulation results and experimental data confirm the validity of the proposed structure.
Formation and heating of chromospheric fibrils in a radiation-MHD simulation
Authors: Druett M. K. , Leenaarts J. , Carlsson M. , Szydlarski M.
Published: July 2022

Aims. We examine the movements of mass elements within dense fibrils using passive tracer particles (corks) in order to understand the creation and destruction processes of fibrils.

Methods. Simulated fibrils were selected at times when they were visible in a Hα image proxy. The corks were selected within fibril Hα formation regions. From this set, we selected a cork and constructed the field line passing through it. Other fibrilar corks close to this field line were also selected and pathlines were constructed, revealing the locations of the mass elements forwards and backwards in time. Finally, we analysed the forces acting on these mass elements.

Results. The main process of fibrilar loading in the simulation is different to the mass loading scenario in which waves steepen into shocks and push material upwards along the field lines from locations near their footpoints. The twisted, low-lying field lines were destabilised and then they untwisted, lifting the material trapped above their apexes via the Lorentz force. Subsequently, the majority of the mass drained down the field lines towards one or both footpoints under the influence of gravity. Material with large horizontal velocities could also be elevated in rising field lines, creating somewhat parabolic motions, but the material was not generally moving upward along a stationary magnetic field line during loading.

Conclusions. The processes observed in the simulation are additional scenarios that are plausible. The criteria for observing such events are described in this work. We note that it is desirable for our simulations to also be able to form more densely packed fibrils from material fed from the base of field footpoints. The experimental parameters required to achieve this are also discussed in this paper.
Desorption of organic molecules from interstellar ices, combining experiments and computer simulations: Acetaldehyde as a case study
Authors: Molpeceres G. , Kästner J. , Herrero V. J. , Peláez R. J. , Maté B.
Published: July 2022

Context. Explaining the presence of complex organic molecules (COMs) in interstellar environments requires a thorough understanding of the physics and chemistry occurring in the interplay between the gas phase and interstellar surfaces. Experiments and computer simulations are pivotal in building a comprehensive catalogue of processes of relevance for the build up of organic molecules in those environments.

Aims. We combine experiments with tailored computer simulations to study the desorption dynamics of acetaldehyde CH3CHO – an important organic precursor in cold interstellar environments - on amorphous solid water for the first time. Our goals with this paper are twofold. Firstly, we want to contextualise the role of this molecule in the evolution of organic molecules in space. Secondly, we want to suggest a joint scheme to produce quantitative information on desorption magnitudes based on the combination of computations and experiments. This scheme can be adopted to refine measurements of other molecules.

Methods. We determined desorption energies and pre-exponential factors of desorption theoretically using molecular dynamics simulations that combine semi-empirical and density functional calculations. We also performed temperature-programmed desorption experiments with acetaldehyde on top of non-porous amorphous solid water. The combination of theoretical and experimental results allows us to derive reliable quantities, which are required for understanding the desorption dynamics of interstellar COMs (iCOMs) atop interstellar ices.

Results. The average theoretical and experimental desorption energies found for CH3CHO desorbing from non-porous amorphous solid water (np-ASW) surfaces are 3624 K and 3774 K, respectively. The pre-exponential factor determined theoretically is vtheo = 2.4 × 1012 s−1 while from the experiments it was possible to constrain this magnitude to 1012±1 s−1.

Conclusions. The comparison of the desorption energies of CH3CHO with other COMs, such as CH3NH2 or CH3NO, shows that CH3CHO is more volatile. Therefore, we suggest that, in consideration of the average binding energy, CH3CHO should undergo preferential desorption during the ice-sublimation phase in hot cores enriching the gas-phase in this particular component. In addition, the overall low binding energy suggests a possible early return to the gas phase of pre-stellar cores due to non-thermal effects (i.e. reactive desorption or cosmic-ray-induced desorption). This could explain the prevalence of CH3CHO in the gas phase of pre-stellar cores. Dedicated laboratory and theoretical efforts are required to confirm this last point.
Stimmungsschwankungen
Authors: Houben Martina , Welsch Katja , Feldhaus Simon , Spajic Emilia
Published: July 2022

Vier Experten stellen Behandlungsansätze bei Stimmungschwankungen mithilfe von Phytotherapie, Homöopathie, Akupunktur und Orthomolekularmedizin vor.
Was wissen Sie über … Nährstoffe?
Authors: Schmid Eva C.
Published: July 2022

In dieser Ausgabe beschäftigen sich alle Wissensquiz-Fragen mit Nährstoffen.
Altbewährt mit moderner Technologie
Authors: Steffen Julia
Published: July 2022

Urin enthält Tausende Metabolite aus dem Stoffwechsel und kann so als Spiegel des Gesundheitszustands und chemischer Fingerabdruck dienen. Im Vergleich zu anderen diagnostischen Methoden wie der Blutuntersuchung bietet die Urindiagnostik einige Vorteile, zum Beispiel sind viele Parameter in einem Urinröhrchen messbar. Die Urindiagnostik kann beispielsweise über die Tryptophan-, Neurotransmitter- und TMAO-Stoffwechsellage, bakterielle urämische Metabolite, organische Säuren, ROS, RNS und Umweltbelastungen Aufschluss geben.
Die zielgerichtete und phasenadaptierte Ernährung auf der Intensivstation
Authors: Blomeier-Schaffran Sabrina , Dähnert Enrico
Published: July 2022

Eine Mangelernährung, die schon bei der Aufnahme auf die Intensivstation besteht oder im weiteren Versorgungsprozess auftritt, ist ein häufiges Phänomen. Um die negativen Folgen einer Mangelernährung zu vermeiden, ist eine adäquate Ernährung ein wichtiger Bestandteil der Versorgung kritisch kranker Patienten. Diese muss mit phasenadaptierten Kalorien- und Eiweißzielen erfolgen und auf ihre metabolische Toleranz geprüft werden. Zur besseren Umsetzung der individuellen Ziele können standardisierte Ernährungsprotokolle beitragen.
Indirekte Kalorimetrie
Authors: Blomeier-Schaffran Sabrina
Published: July 2022

Ein möglichst exaktes Wissen über den tatsächlichen Kalorienbedarf ist wichtig, um in den verschiedenen Phasen der intensivmedizinischen Versorgung ein Über- oder Unterangebot an Kalorien zu vermeiden. Eine empfohlene Methode, um den Ruheenergieumsatz kritisch kranker Patienten zu messen, ist die indirekte Kalorimetrie. Mit ihr kann ein genaueres patientenadaptiertes Kalorienziel als mit Schätzformeln bestimmt werden. Bislang ist der Einsatz der indirekten Kalorimetrie noch nicht bei allen kritisch kranken Patienten möglich.
Die Steinzeit-Rübe
Authors: Lorenz Daniel
Published: July 2022

Der Pastinak ist eine der ältesten Kulturpflanzen und erobert nach und nach wieder unsere Küchen.
Mechanism of Olibanum and Myrrha for the Acute Soft Tissue Injury Based on Network Pharmacology
Authors: Tan Miao , Cheng Yan
Published: July 2022

Objective The objective of this study was to screen the therapeutic target of olibanum and myrrha on acute soft tissue injury (ASTI) by network pharmacology and to clarify their mechanisms.

Methods The main chemical constituents and the targets of olibanum and myrrha were obtained by using traditional Chinese medicine systems pharmacology database and analysis platform database. The disease targets of ASTI were searched by GeneCards. The intersection targets of herbs and diseases were selected for protein interaction analysis, protein–protein interaction network was constructed, and potential protein functional modules in the network were explored. A compound–target–disease network was constructed using Cytoscape3.8.2 software. The targets were analyzed by gene ontology analysis and Kyoto Encyclopedia of Genes and Genomes enrichment analysis based on the Metascape database.

Results The core active components of olibanum and myrrha were quercetin, β-sitosterol, and stigmasterol. The core targets were PGR, NCOA2, PTGS2, PRKCA, and NR3C2. Pathways in cancer, AGE-RAGE signaling pathway in diabetic complications might play a potential role in olibanum and myrrha in the treatment of ASTI.

Conclusion Olibanum and myrrha have the characteristics of multiple components, multiple targets, and overall regulation in the treatment of ASTI.
Potential Targets and Molecular Mechanism of Quercetin Against Knee Osteoarthritis
Authors: Li Lingling , Huang Hailiang
Published: July 2022

Objective The objective of this study was to clarify the potential mechanism of quercetin against knee osteoarthritis (KOA) based on network pharmacology and molecular docking.

Methods The targets of quercetin were predicted by PubChem and Swiss Target Prediction databases, and the targets of KOA were obtained by DisGeNET, OMIM, and GeneCards databases. Then, the targets of quercetin and KOA were intersected to find the potential targets of quercetin against KOA. The protein–protein interaction network was constructed through the STRING database, and the core targets were screened. Gene ontology (GO) functions enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using DAVID database. The drug–target–pathway–disease network was constructed by Cytoscape software, and the molecular docking verification was performed by Vina.

Results There were 49 potential targets for quercetin against KOA, including 10 core targets. GO functions enrichment analysis showed that the biological process of quercetin against KOA mainly involved the negative regulation of apoptotic process, collagen catabolic process, and extracellular matrix disassembly. KEGG pathway enrichment analysis showed that quercetin against KOA was closely related to PI3K-Akt signaling pathway, Rap 1 signaling pathway, FoxO signaling pathway, Ras signaling pathway, TNF signaling pathway, and ErbB signaling pathway. The results of molecular docking showed that the binding energies between ligand and receptors were less than −5 kcal • mol−1.

Conclusions The molecular mechanism of quercetin against KOA involves many targets and pathways, which can regulate the proliferation and apoptosis of chondrocytes, degradation of extracellular matrix, and inflammatory reaction. Quercetin can stably bind to the active pockets of core target proteins, thereby exerting the effect against KOA.