bluuebunny/crossref_metadata_2025 huggingface dataset:
Estimating a gradual parameter change in an AR(1)-process
Authors: Hušková Marie , Prášková Zuzana , Steinebach Josef G.
Published: October 2021

We discuss the estimation of a change-point $$t_0$$

t
0

at which the parameter of a (non-stationary) AR(1)-process possibly changes in a gradual way. Making use of the observations $$X_1,\ldots ,X_n$$

X
1

,
…
,

X
n

, we shall study the least squares estimator $$\widehat{t}_0$$

t
^

0

for $$t_0$$

t
0

, which is obtained by minimizing the sum of squares of residuals with respect to the given parameters. As a first result it can be shown that, under certain regularity and moment assumptions, $$\widehat{t}_0/n$$

t
^

0

/
n

is a consistent estimator for $$\tau _0$$

τ
0

, where $$t_0 =\lfloor n\tau _0\rfloor $$

t
0

=

⌊
n

τ
0

⌋

, with $$0<\tau _0<1$$

0
<

τ
0

<
1

, i.e., $$\widehat{t}_0/n \,{\mathop {\rightarrow }\limits ^{P}}\,\tau _0$$

t
^

0

/
n

→
P

τ
0

$$(n\rightarrow \infty )$$

(
n
→
∞
)

. Based on the rates obtained in the proof of the consistency result, a first, but rough, convergence rate statement can immediately be given. Under somewhat stronger assumptions, a precise rate can be derived via the asymptotic normality of our estimator. Some results from a small simulation study are included to give an idea of the finite sample behaviour of the proposed estimator.
Lymphocyte subsets in the peripheral blood are disturbed in systemic sclerosis patients and can be changed by immunosuppressive medication
Authors: Gernert Michael , Tony Hans-Peter , Schwaneck Eva Christina , Gadeholt Ottar , Fröhlich Matthias , Portegys Jan , Strunz Patrick-Pascal , Schmalzing Marc
Published: October 2021

Systemic sclerosis (SSc) is a severe chronic disease with a broad spectrum of clinical manifestations. SSc displays disturbed lymphocyte homeostasis. Immunosuppressive medications targeting T or B cells can improve disease manifestations. SSc clinical manifestations and immunosuppressive medication in itself can cause changes in lymphocyte subsets. The aim of this study was to investigate peripheral lymphocyte homeostasis in SSc with regards to the immunosuppression and to major organ involvement. 44 SSc patients and 19 healthy donors (HD) were included. Immunophenotyping of peripheral whole blood by fluorescence-activated cell sorting was performed. Cytokine secretions of stimulated B cell cultures were measured. SSc patients without immunosuppression compared to HD displayed lower γδ T cells, lower T helper cells (CD3+/CD4+), lower transitional B cells (CD19+/CD38++/CD10+/IgD+), lower pre-switched memory B cells (CD19+/CD27+/IgD+), and lower post-switched memory B cells (CD19+/CD27+/IgD−). There was no difference in the cytokine production of whole B cell cultures between SSc and HD. Within the SSc cohort, mycophenolate intake was associated with lower T helper cells and lower NK cells (CD56+/CD3−). The described differences in peripheral lymphocyte subsets between SSc and HD generate further insight in SSc pathogenesis. Lymphocyte changes under effective immunosuppression indicate how lymphocyte homeostasis in SSc might be restored.
Genomic analysis of the polyamine biosynthesis pathway in duckweed Spirodela polyrhiza L.: presence of the arginine decarboxylase pathway, absence of the ornithine decarboxylase pathway, and response to abiotic stresses
Authors: Upadhyay Rakesh K. , Shao Jonathan , Mattoo Autar K.
Published: October 2021

Main conclusion

Identification of the polyamine biosynthetic pathway genes in duckweed S. polyrhiza reveals presence of prokaryotic as well as land plant-type ADC pathway but absence of ODC encoding genes. Their differential gene expression and transcript abundance is shown modulated by exogenous methyl jasmonate, salinity, and acidic pH.

Genetic components encoding for polyamine (PA) biosynthetic pathway are known in several land plant species; however, little is known about them in aquatic plants. We utilized recently sequenced three duckweed (Spirodela polyrhiza) genome assemblies to map PA biosynthetic pathway genes in S. polyrhiza. PA biosynthesis in most higher plants except for Arabidopsis involves two pathways, via arginine decarboxylase (ADC) and ornithine decarboxylase (ODC). ADC-mediated PA biosynthetic pathway genes, namely, one arginase (SpARG1), two arginine decarboxylases (SpADC1, SpADC2), one agmatine iminohydrolase/deiminase (SpAIH), one N-carbamoyl putrescine amidase (SpCPA), three S-adenosylmethionine decarboxylases (SpSAMDc1, 2, 3), one spermidine synthase (SpSPDS1) and one spermine synthase (SpSPMS1) in S. polyrhiza genome were identified here. However, no locus was found for ODC pathway genes in this duckweed. Hidden Markov Model protein domain analysis established that SpADC1 is a prokaryotic/biodegradative type ADC and its molecular phylogenic classification fell in a separate prokaryotic origin ADC clade with SpADC2 as a biosynthetic type of arginine decarboxylase. However, thermospermine synthase (t-SPMS)/Aculis5 genes were not found present. Instead, one of the annotated SPDS may also function as SPMS, since it was found associated with the SPMS phylogenetic clade along with known SPMS genes. Moreover, we demonstrate that S. polyrhiza PA biosynthetic gene transcripts are differentially expressed in response to unfavorable conditions, such as exogenously added salt, methyl jasmonate, or acidic pH environment as well as in extreme temperature regimes. Thus, S. polyrhiza genome encodes for complete polyamine biosynthesis pathway and the genes are transcriptionally active in response to changing environmental conditions suggesting an important role of polyamines in this aquatic plant.
Protein carbonylation in food and nutrition: a concise update
Authors: Estévez Mario , Díaz-Velasco Silvia , Martínez Remigio
Published: October 2021

Protein oxidation is a topic of indisputable scientific interest given the impact of oxidized proteins on food quality and safety. Carbonylation is regarded as one of the most notable post-translational modifications in proteins and yet, this reaction and its consequences are poorly understood. From a mechanistic perspective, primary protein carbonyls (i.e. α-aminoadipic and γ-glutamic semialdehydes) have been linked to radical-mediated oxidative stress, but recent studies emphasize the role alternative carbonylation pathways linked to the Maillard reaction. Secondary protein carbonyls are introduced in proteins via covalent linkage of lipid carbonyls (i.e. protein-bound malondialdehyde). The high reactivity of protein carbonyls in foods and other biological systems indicates the intricate chemistry of these species and urges further research to provide insight into these molecular mechanisms and pathways. In particular, protein carbonyls are involved in the formation of aberrant and dysfunctional protein aggregates, undergo further oxidation to yield carboxylic acids of biological relevance and establish interactions with other biomolecules such as oxidizing lipids and phytochemicals. From a methodological perspective, the routine dinitrophenylhydrazine (DNPH) method is criticized not only for the lack of accuracy and consistency but also authors typically perform a poor interpretation of DNPH results, which leads to misleading conclusions. From a practical perspective, the biological relevance of protein carbonyls in the field of food science and nutrition is still a topic of debate. Though the implication of carbonylation on impaired protein functionality and poor protein digestibility is generally recognized, the underlying mechanism of such connections requires further clarification. From a medical perspective, protein carbonyls are highlighted as markers of protein oxidation, oxidative stress and disease. Yet, the specific role of specific protein carbonyls in the onset of particular biological impairments needs further investigations. Recent studies indicates that regardless of the origin (in vivo or dietary) protein carbonyls may act as signalling molecules which activate not only the endogenous antioxidant defences but also implicate the immune system. The present paper concisely reviews the most recent advances in this topic to identify, when applicable, potential fields of interest for future studies.
The association of HLA-G polymorphism with oral and genital HPV infection in men
Authors: Suominen Nelli T. , Jaakola Anna J. , Roger Michel , Faucher Marie-Claude , Syrjänen Kari J. , Grénman Seija E. , Syrjänen Stina M. , Louvanto Karolina
Published: October 2021

The host genetic factors that influence the natural history of human papillomavirus (HPV) infection in men are not well known. Our aim was to evaluate the role of human leukocyte antigen (HLA)-G polymorphism in oral and genital HPV infection in men. Altogether, 130 men from the Finnish Family HPV Study, with a 6-year follow-up, were included in the analyses. HLA-G alleles were tested by direct sequencing. Oral, urethral, and semen samples were collected and analyzed for 24 different HPV genotypes. Unconditional logistic regression was used to determine associations between HLA-G alleles and genotypes with HPV infection and its outcomes. Overall, eight different HLA-G alleles were identified with 15 different HLA-G genotype combinations. The most common HLA-G allele among the men was G*01:01:01 (86.2%, n = 112) followed by G*01:01:02 (36.2%, n = 47). Allele G*01:01:02 showed to be protective against any- and high-risk (HR) oral HPV (OR range of 0.20–0.24, 95% CI range of 0.06–0.85). Men having allele G*01:01:01 showed a reduced risk for incident (OR 0.30, 95% CI 0.11–0.84) and persistent (OR 0.24, 95% CI 0.08–0.69) oral infections. Allele G*01:01:03 was associated with increased risk for urethral HR-HPV infections (OR 4.94, 95% CI 1.34–18.27). Among self-reported demographic data, genotype G*01:01:01/01:01:03 was associated with an increased risk for oral warts (OR 8.00, 95% CI 1.23–51.89) and allele G*01:03:01 increased the risk of pollen and/or animal allergy (OR 13.59, 95% CI 1.57–117.25). To conclude, HLA-G polymorphism in men largely impacts the outcome of an oral HPV infection and seems to associate with self-reported allergies.
The Comparative Effectiveness and Safety of Different Anticoagulation Strategies for Treatment of Left Atrial Appendage Thrombus in the Setting of Chronic Anticoagulation for Atrial Fibrillation or Flutter
Authors: Kołakowski Karol , Farkowski Michał M. , Pytkowski Mariusz , Gardziejczyk Piotr , Kowalik Ilona , Dąbrowski Rafał , Firek Bohdan , Jaworski Krzysztof , Klisiewicz Anna , Maciąg Aleksander
Published: October 2021

Purpose

To compare effectiveness of different treatments for atrial fibrillation (AF) patients who were scheduled for cardioversion (CV) or ablation (CA) presenting with left atrium appendage (LAA) thrombus despite chronic oral anticoagulation therapy (OAC).

Methods

This was a retrospective cohort study. We analyzed 2014–2019 medical records of patients scheduled for CV or CA of AF who were diagnosed with LAA thrombus despite optimal OAC and had a follow-up transesophageal echocardiogram (TOE). Changes in treatment were divided into the following groups: switch to a drug with different mechanism of action, switch to a drug with similar mechanism of action, initiation of combination therapy, or deliberate no change in treatment. Patients with contraindications to non-vitamin K antagonists were excluded from the analysis.

Results

We analyzed data of 129 patients comprising 181 cycles of treatment. The overall effectiveness of LAA thrombus dissolution was 51.9% regardless of the number of cycles and 42.6% for the first cycle of treatment. Any change of treatment was more effective than deliberate no change—OR 2.97 [95% CI: 1.07–8.25], P = 0.031, but no particular strategy seemed to be more effective than the other. Left atrium area (OR 0.908 [95% CI: 0.842–0.979]) and number of treatment cycles (OR 0.457 [95% CI: 0.239–0.872]) were both adversely related to thrombus resolution. There was one ischemic and three bleeding adverse events during the treatment.

Conclusion

LAA thrombus resolution in patients already on OAC may require a change of previous OAC treatment but the overall effectiveness of dissolution seems to be about 50%.
The ThermiVa In Genital Hiatus Treatment (TIGHT) Study
Authors: Pather Kaveshan , Dilgir Sapna , Rane Ajay
Published: October 2021

Introduction

Vaginal laxity or the sensation of vaginal looseness affects anywhere from 24% to 50% of postpartum women.

Aim

To evaluate the efficacy and safety of the ThermiVa (ThermiAesthetics, TX, USA) monopolar radiofrequency device in the treatment of vulvovaginal laxity and sexual dysfunction

Methods

The TIGHT study was a prospective single blinded randomized sham-control trial conducted over 3 sites in Australia and India. The study included parous woman over the age of 18 who complained of vaginal laxity/looseness. Participants were randomized into a treatment group and a sham group. Patients in the treatment group were treated with an active probe, whereas, women in the placebo group were treated with sham probes that only reached subtherapeutic temperatures.

Main Outcome Measures

Subjective success was determined by improvement in the Female Sexual Function Index (FSFI), Vaginal Laxity Questionnaire (VLQ), Vaginal Flatus Score (VFS), and the Vaginal laxity Bother Score (VLBS). Objective success was measured via the Modified Oxford Score (MOS) and Genital Hiatus (GH) length.

Results

Sixty-three participants were recruited (sham n = 29, treatment n = 34). In the treatment group, FSFI scores improved at 3 months (mean difference 8-points, P value .02), and at 6 months (mean difference 5-points, P value .07). At baseline 89.7% and 87.2% of patients in the sham and treatment groups, respectively, classified themselves as “loose” on the VLQ. At 6 months 73.1% of patients in the sham group still identified as “loose” compared to 32.4% of patients in the active group (P value .01). Subjective success was also noted in the VLBS (P value .02). Results pertaining to VLFS, MOS, and GH did not reveal statistically significant results.

Conclusion

Treatment with ThermiVa was associated with a modest subjective improvement in vaginal laxity and sexual dysfunction and proved to be safe over the 6-month trial period.
Incidence of healthcare-associated coronavirus disease 2019 (COVID-19) in the state of Geneva
Authors: Mongin Denis , Catho Gaud , Iten Anne , Harbarth Stephan , Courvoisier Delphine S.
Published: October 2021

An examination of all coronavirus disease 2019 (COVID-19) cases and patient movements in Geneva indicated important disease activity within the healthcare system since the beginning of the pandemic. We estimate that 4.3% of all COVID-19 cases were likely acquired within the healthcare system, contributing to 62% of the COVID-19–related deaths.
Electrochemotherapy for the palliative management of non-skin-origin head and neck cancer: case series and UK national survey
Authors: McCaffer C , Wong B Y W , Murugan C S , Muir T , Lester S
Published: October 2021

Objectives

Electrochemotherapy uses electric fields to facilitate the influx of chemotherapy into cancer cells, producing a targeted effect. For head and neck cancer, it is mainly used for palliation of non-skin-origin metastases. It is used infrequently in the UK. This paper presents our experience and a UK survey to identify its frequency of use.

Methods

Between 2016 and 2019, a prospective database was created and reviewed. Only patients with non-skin-origin metastatic head and neck cancer, with no other palliative options, were included. Survival length, complications and symptomatic benefit were assessed. The survey was conducted via e-mail.

Results

Five patients were included: three with squamous cell carcinoma, one with esthesioneuroblastoma and one with hepatocellular carcinoma. Survival ranged from 1 month to over 20 months. Minor complications were seen. Only 15 out of 69 UK head and neck multidisciplinary teams offer electrochemotherapy.

Conclusion

Electrochemotherapy is a well-tolerated adjunct to standard palliation of metastatic head and neck cancer, and is offered by a limited number of UK multidisciplinary teams.
Brain food: rethinking food-borne toxocariasis
Authors: Healy Sara R. , Morgan Eric R. , Prada Joaquin M. , Betson Martha
Published: October 2021

Human toxocariasis is a neglected tropical disease, which is actually global in distribution and has a significant impact on global public health. The infection can lead to several serious conditions in humans, including allergic, ophthalmic and neurological disorders such as epilepsy. It is caused by the common roundworm speciesToxocara canisandToxocara cati, with humans becoming accidentally infectedviathe ingestion of eggs or larvae.Toxocaraeggs are deposited on the ground when infected dogs, cats and foxes defecate, with the eggs contaminating crops, grazing pastures, and subsequently food animals. However, transmission ofToxocarato humansviafood consumption has received relatively little attention in the literature. To establish the risks that contaminated food poses to the public, a renewed research focus is required. This review discusses what is currently known about food-borneToxocaratransmission, highlighting the gaps in our understanding that require further attention, and outlining some potential preventative strategies which could be employed to safeguard consumer health.
Developing a multisensory methodology to explore older people's landscape experience in Australian aged-care facilities
Authors: Tsai Mimi , Brough Mark , Cushing Debra Flanders
Published: October 2021

This paper aims to develop a sensory methodological framework to explore older user's landscape experience. Applying empirical experience in Australian aged-care facilities, it addresses a methodological gap in the current literature to help move beyond the current taken-for-granted approaches such as interviews, cognitive mapping, behavioural observation and visual methods. We propose a more holistic method which enables the exploration of older people's in situ environmental experience. The multisensory framework we propose here is based on the first author's doctoral fieldwork experience that took place in two aged-care facilities in Brisbane, Australia. Findings suggest this framework facilitates an understanding of users’ olfactory, auditory and visual responses to the physical environment, and promotes a deeper engagement with the landscape. We argue that this is essential to promoting good landscape design which genuinely connects with older people's needs.
See the self through others’ eyes: The development of moral emotions in young children with autism spectrum disorder
Authors: Li Boya , Tsou Yung-Ting , Stockmann Lex , Greaves-Lord Kirstin , Rieffe Carolien
Published: October 2021

Despite the important social functions of moral emotions, they are understudied in the autism spectrum disorder (ASD) population. This three-wave longitudinal study is among the first to examine the development of moral emotions and their associations with theory of mind in 3- to 7-year-old children with ASD, using observational tasks. One hundred and forty-two children (52 with ASD) were followed over a period of 2 years. We found that while the expressions of shame and guilt remained stable in non-ASD children, they decreased with age in children with ASD. No group differences were found in the levels or the developmental trajectories of pride. Besides, better false-belief understanding was uniquely related to the expressions of pride in children with ASD. Our findings highlight the importance of enhancing understanding of moral emotion development and related factors in children with ASD.
The “Magdala stone table”: its function and role in determining the liturgical furniture in the ancient synagogue
Authors: Weiss Zeev
Published: October 2021

The discovery of low stone tables at Magdala and a few other sites in the Galilee and Golan allows us to examine, for the first time, this liturgical piece of furniture used by several communities in the late Second Temple period and the first centuries of the Common Era. This article defines the purpose of these stone tables based on analysis of the archaeological finds and examination of the literary sources associated with the Torah-reading ceremony conducted in the synagogues of ancient Palestine. The reading of the Torah throughout this long period was conducted standing with the open Torah scroll held in raised hands. Our study demonstrates that this table was not intended to be used for reading the Torah, but rather functioned as a low stand upon which the scroll was placed before the Torah-reading ceremony, during the breaks between the readers, and after completion of the ceremony.
Little Change in Ice Age Water Mass Structure From Cape Basin Benthic Neodymium and Carbon Isotopes
Authors: Hines Sophia K. V. , Bolge Louise , Goldstein Steven L. , Charles Christopher D. , Hall Ian R. , Hemming Sidney R.
Published: October 2021

A common conception of the deep ocean during ice age episodes is that the upper circulation cell in the Atlantic was shoaled at the Last Glacial Maximum compared to today, and that this configuration facilitated enhanced carbon storage in the deep ocean, contributing to glacial CO2 draw‐down. Here, we test this notion in the far South Atlantic, investigating changes in glacial circulation structure using paired neodymium and benthic carbon isotope measurements from International Ocean Discovery Program Site U1479, at 2,615 m water depth in the Cape Basin. We infer changes in circulation structure across the last glacial cycle by aligning our site with other existing carbon and neodymium isotope records from the Cape Basin, examining vertical isotope gradients, while determining the relative timing of inferred circulation changes at different depths. We find that Site U1479 had the most negative neodymium isotopic composition across the last glacial cycle among the analyzed sites, indicating that this depth was most strongly influenced by North Atlantic Deep Water (NADW) in both interglacial and glacial intervals. This observation precludes a hypothesized dramatic shoaling of NADW above ∼2,000 m. Our evidence, however, indicates greater stratification between mid‐depth and abyssal sites throughout the last glacial cycle, conditions that developed in Marine Isotope Stage 5. These conditions still may have contributed to glacial carbon storage in the deep ocean, despite little change in the mid‐depth ocean structure.
Neurological complications after first dose of COVID-19 vaccines and SARS-CoV-2 infection
Authors: Patone Martina , Handunnetthi Lahiru , Saatci Defne , Pan Jiafeng , Katikireddi Srinivasa Vittal , Razvi Saif , Hunt David , Mei Xue W. , Dixon Sharon , Zaccardi Francesco , Khunti Kamlesh , Watkinson Peter , Coupland Carol A. C. , Doidge James , Harrison David A. , Ravanan Rommel , Sheikh Aziz , Robertson Chris , Hippisley-Cox Julia
Published: October 2021

Emerging reports of rare neurological complications associated with COVID-19 infection and vaccinations are leading to regulatory, clinical and public health concerns. We undertook a self-controlled case series study to investigate hospital admissions from neurological complications in the 28 days after a first dose of ChAdOx1nCoV-19 (n = 20,417,752) or BNT162b2 (n = 12,134,782), and after a SARS-CoV-2-positive test (n = 2,005,280). There was an increased risk of Guillain–Barré syndrome (incidence rate ratio (IRR), 2.90; 95% confidence interval (CI): 2.15–3.92 at 15–21 days after vaccination) and Bell’s palsy (IRR, 1.29; 95% CI: 1.08–1.56 at 15–21 days) with ChAdOx1nCoV-19. There was an increased risk of hemorrhagic stroke (IRR, 1.38; 95% CI: 1.12–1.71 at 15–21 days) with BNT162b2. An independent Scottish cohort provided further support for the association between ChAdOx1nCoV and Guillain–Barré syndrome (IRR, 2.32; 95% CI: 1.08–5.02 at 1–28 days). There was a substantially higher risk of all neurological outcomes in the 28 days after a positive SARS-CoV-2 test including Guillain–Barré syndrome (IRR, 5.25; 95% CI: 3.00–9.18). Overall, we estimated 38 excess cases of Guillain–Barré syndrome per 10 million people receiving ChAdOx1nCoV-19 and 145 excess cases per 10 million people after a positive SARS-CoV-2 test. In summary, although we find an increased risk of neurological complications in those who received COVID-19 vaccines, the risk of these complications is greater following a positive SARS-CoV-2 test.
Discovering disease–disease associations using electronic health records in The Guideline Advantage (TGA) dataset
Authors: Guo Aixia , Khan Yosef M. , Langabeer James R. , Foraker Randi E.
Published: October 2021

Certain diseases have strong comorbidity and co-occurrence with others. Understanding disease–disease associations can potentially increase awareness among healthcare providers of co-occurring conditions and facilitate earlier diagnosis, prevention and treatment of patients. In this study, we utilized the valuable and large The Guideline Advantage (TGA) longitudinal electronic health record dataset from 70 outpatient clinics across the United States to investigate potential disease–disease associations. Specifically, the most prevalent 50 disease diagnoses were manually identified from 165,732 unique patients. To investigate the co-occurrence or dependency associations among the 50 diseases, the categorical disease terms were first mapped into numerical vectors based on disease co-occurrence frequency in individual patients using the Word2Vec approach. Then the novel and interesting disease association clusters were identified using correlation and clustering analyses in the numerical space. Moreover, the distribution of time delay (Δt) between pair-wise strongly associated diseases (correlation coefficients ≥ 0.5) were calculated to show the dependency among the diseases. The results can indicate the risk of disease comorbidity and complications, and facilitate disease prevention and optimal treatment decision-making.
High performance near-infrared phototransistors via enhanced electron trapping effect
Authors: Jiang Xingyu , Lu Jie , Xue Di , Wei Yujia , Zhang Yadan , Zhang Jidong , Wang Zi , Huang Lizhen , Chi Lifeng
Published: October 2021

A high performance near-infrared organic phototransistor with photoresponsivity of 2000 A W−1 and detectivity of 1016 Jones is achieved via introducing a small molecule acceptor as an electron trapping site.
Pd-catalyzed allylative dearomatisation using Grignard reagents
Authors: Boldrini Cosimo , Harutyunyan Syuzanna R.
Published: October 2021

Dearomatisation of benzylic halides have been achieved using Grignard reagents resulting in good isolated yields in short reaction times.
Sequential variation of super periodic structures emerged in Bi-layered perovskite pillar-matrix epitaxial nanocomposite films with spinel ferrites
Authors: Harada R. , Kawahira Y. , Ikeda T. , Maruyama S. , Matsumoto Y.
Published: October 2021

The phase stability of Aurivillius bismuth-layer structured Bi5Ti3FeO15 (BTFO15) has been investigated in an epitaxial pillar-matrix nanocomposite system with spinel ferrites.
Europium complexes with dinitropyrazole: unusual luminescence thermal behavior and irreversible temperature sensing
Authors: Utochnikova Valentina V. , Vatsadze Irina A. , Tsymbarenko Dmitry M. , Goloveshkin Alexander S. , Vatsadze Sergey Z.
Published: October 2021

Europium 3,5-dinitropyrazole complexes demonstrate an unusual luminescence behavior upon heating, i.e. there is a noticeable increase of the luminescence intensity beyond a temperature of 200 °C.
Building quantum mechanics quality force fields of proteins with the generalized energy-based fragmentation approach and machine learning
Authors: Cheng Zheng , Du Jiahui , Zhang Lei , Ma Jing , Li Wei , Li Shuhua
Published: October 2021

We propose a protocol to construct a machine learning force field for proteins with QM quality at the cost of some QM calculations on subsystems.
Generalization of piezoelectric quantum anomalous Hall insulator based on monolayer Fe2I2: a first-principles study
Authors: Guo San-Dong , Mu Wen-Qi , Xiao Xiang-Bo , Liu Bang-Gui
Published: October 2021

To easily synthesize a piezoelectric quantum anomalous Hall insulator, a Janus monolayer FeI0.5Br0.5, is generalized to monolayer FeI1−xBrx (x = 0.25 and 0.75) with α and β phases.
Vibrational CD study on the solution phase structures of the MacMillan catalyst and its corresponding iminium ion
Authors: Golub Tino P. , Merten Christian
Published: October 2021

We demonstrate that VCD spectroscopy can reveal insights into the conformational preferences of the iminium ion obtained from MacMillan's imidazolidinone catalyst.
Treatment of Underlying Forms: A Bayesian Meta-Analysis of the Effects of Treatment and Person-Related Variables on Treatment Response
Authors: Swiderski Alexander M. , Quique Yina M. , Dickey Michael Walsh , Hula William D.
Published: October 2021

Purpose

This meta-analysis synthesizes published studies using “treatment of underlying forms” (TUF) for sentence-level deficits in people with aphasia (PWA). The study aims were to examine group-level evidence for TUF efficacy, to characterize the effects of treatment-related variables (sentence structural family and complexity; treatment dose) in relation to the Complexity Account of Treatment Efficacy (CATE) hypothesis, and to examine the effects of person-level variables (aphasia severity, sentence comprehension impairment, and time postonset of aphasia) on TUF response.

Method

Data from 13 single-subject, multiple-baseline TUF studies, including 46 PWA, were analyzed. Bayesian generalized linear mixed-effects interrupted time series models were used to assess the effect of treatment-related variables on probe accuracy during baseline and treatment. The moderating influence of person-level variables on TUF response was also investigated.

Results

The results provide group-level evidence for TUF efficacy demonstrating increased probe accuracy during treatment compared with baseline phases. Greater amounts of TUF were associated with larger increases in accuracy, with greater gains for treated than untreated sentences. The findings revealed generalization effects for sentences that were of the same family but less complex than treated sentences. Aphasia severity may moderate TUF response, with people with milder aphasia demonstrating greater gains compared with people with more severe aphasia. Sentence comprehension performance did not moderate TUF response. Greater time postonset of aphasia was associated with smaller improvements for treated sentences but not for untreated sentences.

Conclusions

Our results provide generalizable group-level evidence of TUF efficacy. Treatment and generalization responses were consistent with the CATE hypothesis. Model results also identified person-level moderators of TUF (aphasia severity, time postonset of aphasia) and preliminary estimates of the effects of varying amounts of TUF for treated and untreated sentences. Taken together, these findings add to the TUF evidence and may guide future TUF treatment–candidate selection.

Supplemental Material

https://doi.org/10.23641/asha.16828630
Recent Advances on Transition-Metal-Catalyzed Asymmetric C–H Arylation Reactions
Authors: Wang Jun , Li Mingliang
Published: October 2021

Transition-metal-catalyzed asymmetric C–H functionalization has become a powerful strategy to synthesize complex chiral molecules. Recently, catalytic enantioselective C–H arylation has attracted great interest from organic chemists to construct aryl-substituted chiral compounds. In this short review, we highlight recent advances in asymmetric C–H arylation from 2019 to late 2021, including enantioselective C(sp2)–H arylation to construct axial or planar chiral compounds, and enantioselective C(sp3)–H arylation to introduce central chirality via desymmetrization of the methyl group or methylene C–H activation. These processes proceed with palladium, rhodium, iridium, nickel, or copper catalysts, and utilize aryl halides, boron, or diazo derivatives as arylation reagents.

1 Introduction

2 Transition-Metal-Catalyzed Asymmetric C(sp2)–H Arylation

2.1 Chelation-Assisted Asymmetric C(sp2)–H Arylation for the Construction of Atropisomer

2.2 Chelation-Assisted Asymmetric C(sp2)–H Arylation for the Construction of Planar Chiral Compounds

2.3 Chelation-Assisted Asymmetric C(sp2)–H Arylation and Axial-to-Central Chirality Transfer for the Construction of Spirocycles

2.4 Other Asymmetric C(sp2)–H Arylation Reactions

3 Transition-Metal-Catalyzed Asymmetric C(sp3)–H Arylation

3.1 Chelation-Assisted Enantioselective C(sp3)–H Arylation through Desymmetrization

3.2 Chelation-Assisted Enantioselective Methylene C(sp3)–H Aryl­ation

3.3 Other Asymmetric C(sp3)–H Arylations

4 Conclusion and Outlook
A compound plume with solid and hollow parts formed downstream of an argon plasma jet at atmospheric pressure
Authors: Li Xuechen , Chen Junyu , Wu Kaiyue , Wu Jiacun , Zhang Furong , Zhao Na , Jia Pengying , Yin Zengqian , Wang Yongjie , Ren Chenhua
Published: October 2021

Plasma jet is able to produce abundant active species in plasma plume, whose morphology is a key issue for its various application fields. In this paper, we report the first observation of a compound plume with a solid part and a hollow one in an argon plasma jet. Results indicate that the compound plume can only be formed under proper conditions. Integrated emission waveform reveals that the compound plume initiates with periodicity. By fast photography, it is found that after a passage of straight-line propagation, some positive discharges behave as a curved propagation due to the influence of residual ions. Moreover, the solid part comes from negative discharges and the straight-line propagation of positive discharges. In contrast, the hollow part originates from the curved propagation of positive discharges. Optical emission spectroscopy verifies the existence of residual ions. These results can enrich the morphology of plasma plume.
Multi-order phononic frequency comb generation within a MoS2 electromechanical resonator
Authors: Chiout Anis , Correia Franck , Zhao Meng-Qiang , Johnson A. T. Charlie , Pierucci Debora , Oehler Fabrice , Ouerghi Abdelkarim , Chaste Julien
Published: October 2021

In this work, we measure and tune simultaneously the vibration of a 1-nm thick MoS2 suspended monolayer with standard electrical excitation and optical techniques. At ambient temperature, we first investigate the strong parametric coupling between two different mechanical modes (ω1 and ω2). We demonstrate a high and quasi-linear tunability of the mode frequencies with the parametric pump voltage. Then, we couple the highly tunable main vibration (ω1) to a parametric pump frequency (ωp) to obtain a high number of sidebands at frequencies ω1 ± m ωp, driving the mechanical mode with a large external electrical force. This oscillating force, applied via the gate voltage, acts as a stress onto the MoS2 sheet. The obtained frequency comb has a large spectral band and contains up to 100 harmonics, with potential applications in quantum information processing and heat or sound transport.
Josephson junctions via anodization of epitaxial Al on an InAs heterostructure
Authors: Jouan A. , Witt J. D. S. , Gardner G. C. , Thomas C. , Lindemann T. , Gronin S. , Manfra M. J. , Reilly D. J.
Published: October 2021

We combine electron beam lithography and masked anodization of epitaxial aluminum to define tunnel junctions via selective oxidation, alleviating the need for wet-etch processing or direct deposition of dielectric materials. Applying this technique to define Josephson junctions in proximity-induced superconducting Al-InAs heterostructures, we observe multiple Andreev reflections in transport experiments, indicative of a high quality junction. We further compare the mobility and density of Hall-bars defined via wet etching and anodization. These results may find utility in uncovering better fabrication approaches to junction-based qubit platforms.
Shaping magnetic fields with zero-magnetic-permeability media
Authors: Sanchez Alvaro , Bort-Soldevila Natanael
Published: October 2021

Some of the most important technological challenges of today’s society, such as fusion reactors for future clean unlimited energy or the next generation of medical imaging techniques, require precise spatial shapes of strong magnetic fields. Achieving these high fields is currently hindered by limitations such as large forces damaging the wires in coils or the saturation of ferromagnets at high fields. Here, we demonstrate a novel paradigm for creating magnetic landscapes. By enclosing magnetic sources within zero-magnetic-permeability (ZMP) media, a set of novel properties is unveiled. The magnetic field shape directly results from the contour of the outer surface of the ZMP enclosure, which allows the realization of basically any imaginable field landscape. Also, currents embedded in ZMP media can be fully magnetically isolated, which eliminates the forces in the wires, one of the main factors that currently impedes achieving very high magnetic fields. We confirm these properties, rooted in fundamental laws of electromagnetism, by numerical simulations and by proof-of-principle experiments using conventional high-temperature superconductors as ZMP materials, which showcase the practical applicability of our ideas. The freedom in the design of magnetic fields provided by ZMP media enables us to concentrate and homogenize magnetic fields with unprecedented precision, as needed in medical imaging techniques and particle-physics experiments, and to realize devices like perfect electromagnetic absorbers of mechanical vibrations.
Graphene-mediated stabilization of surface facets on metal substrates
Authors: Ananthakrishnan Ganesh , Surana Mitisha , Poss Matthew , Yaacoub Jad Jean , Zhang Kaihao , Admal Nikhil , Pochet Pascal , Tawfick Sameh , Johnson Harley T.
Published: October 2021

After Chemical Vapor Deposition (CVD), faceted structures are routinely observed on a variety of metal catalyst surfaces in the graphene-covered regions. In spite of having its bare surface flattened through high diffusivity and surface pre-melting at high temperatures, the graphene-covered copper surface still presents faceted structures. Using atomistic simulations, we show the role of graphene in the preservation of the faceted surface morphology at the graphene–copper interface, manifesting as a suppressant against surface melting and surface-specific diffusion. The results of our molecular dynamics simulations are consistent with our experimental observations and demonstrate the thermo-mechanical interfacial surface stabilization role of graphene. Our study provides an understanding applicable to most metal–graphene interfaces and is especially relevant to most metallic catalysts for graphene growth by CVD. Understanding the interaction between graphene and the catalyst surface structure is critical for producing ultra-flat and defect-free graphene.
The effects of upstream perturbations on large-scale field and the proliferation of λ2 vortices
Authors: Pulletikurthi V. , Dharmarathne S. , Tutkun M. , Castillo L.
Published: October 2021

The effects of upstream perturbations on large-scale field are analyzed using direct numerical simulation data of a channel flow of frictional Reynolds number, Reτ, 394. A set of three and five spanwise blowing jets are used to create the upstream perturbations. The premultiplied energy spectra show that upstream perturbations led to the increase in range of large-scale wavenumbers in contrast to the unperturbed channel flow. The energy of wavenumbers lower than inertial sub-range (−5/3 power law) shows an increase in energy due to the perturbations and sustained downstream up to x = 10D from jets. Two-point correlation based Gaussian filter is used to extract large-scale features of correlation length greater than 2h (where h is channel half-height). Premultiplied energy spectra of the Gaussian filtered large-scales demonstrate the importance of jet spacing and diameter in exciting large-scale wavenumbers. The λ2 vortices of large-scale features formed a strong ring-type vortices at y+=60. Spectral turbulence kinetic energy (TKE) production depicts a secondary peak in TKE production at y+=60, which indicates the formation of a shear layer due to the upstream perturbations.
Size and charge-state dependence of detachment energies of polyanionic silver clusters
Authors: Iwe N. , Raspe K. , Müller M. , Martinez F. , Schweikhard L. , Meiwes-Broer K.-H. , Tiggesbäumker J.
Published: October 2021

The electronic properties of silver clusters (N up to 800) charged by attachment of up to z = 7 excess electrons are investigated. As an essential preparation step, the technique of in-trap electron attachment to size-selected monoanions within a linear Paul trap is applied. By taking advantage of tunable laser pulses, the photoelectron spectra allow us to evaluate details of the electronic structure of polyanionic metal clusters, giving a multidimensional dataset. The subsequent analysis based on the liquid drop model provides information about the atomic structure and the bulk work function at a hitherto unknown quality.
Forced convective flow and heat transfer past a blunt headed cylinder with corner modification
Authors: Pawar Ashish P. , Sarkar Sandip , Saha Sandip K.
Published: October 2021

A numerical analysis is performed to elucidate the forced convective fluid flow and heat transfer characteristics past a blunt-headed cylinder. Simulations are carried out employing air (Pr = 0.71) as an operating fluid in a Reynolds numbers range 40≤Re≤200. The curvature ratio is varied from 0 to 0.5. The flow and heat transport features are elucidated in detail for different curvature ratios. Important flow parameters such as boundary layer thickness, vortex strength, wake width, drag, lift, skin friction coefficient, pressure coefficient, Strouhal number, and recirculation length are computed. Also, a primary stability analysis has been carried out using the Landau equation, whereas secondary stability analysis has been done implementing dynamic mode decomposition (DMD) to compute the critical Reynolds number at each curvature ratio. Calculating local and time-averaged values of Nusselt numbers, heat transfer characteristics are studied. An entropy generation analysis is done to investigate the effects of corner modification on the efficacy of thermofluid transport characteristics.
Increasing fire and the decline of fire adapted black spruce in the boreal forest
Authors: Baltzer Jennifer L. , Day Nicola J. , Walker Xanthe J. , Greene David , Mack Michelle C. , Alexander Heather D. , Arseneault Dominique , Barnes Jennifer , Bergeron Yves , Boucher Yan , Bourgeau-Chavez Laura , Brown Carissa D. , Carrière Suzanne , Howard Brian K. , Gauthier Sylvie , Parisien Marc-André , Reid Kirsten A. , Rogers Brendan M. , Roland Carl , Sirois Luc , Stehn Sarah , Thompson Dan K. , Turetsky Merritt R. , Veraverbeke Sander , Whitman Ellen , Yang Jian , Johnstone Jill F.
Published: October 2021

Significance

Black spruce is the dominant tree species in boreal North America and has shaped forest flammability, carbon storage, and other landscape processes over the last several thousand years. However, climate warming and increases in wildfire activity may be undermining its ability to maintain dominance, shifting forests toward alternative forested and nonforested states. Using data from across North America, we evaluate whether loss of black spruce resilience is already widespread. Resilience was the most common outcome, but drier climatic conditions and more severe fires consistently undermine resilience, often resulting in complete regeneration failure. Although black spruce forests are currently moderately resilient, ongoing warming and drying may alter this trajectory, with large potential consequences for the functioning of this globally important biome.
T and B cell abnormalities, pneumocystis pneumonia, and chronic lymphocytic leukemia associated with an AIOLOS defect in patients
Authors: Kuehn Hye Sun , Chang Jingjie , Yamashita Motoi , Niemela Julie E. , Zou Chengcheng , Okuyama Kazuki , Harada Junji , Stoddard Jennifer L. , Nunes-Santos Cristiane J. , Boast Brigette , Baxter Ryan M. , Hsieh Elena W.Y. , Garofalo Mary , Fleisher Thomas A. , Morio Tomohiro , Taniuchi Ichiro , Dutmer Cullen M. , Rosenzweig Sergio D.
Published: October 2021

AIOLOS/IKZF3 is a member of the IKAROS family of transcription factors. IKAROS/IKZF1 mutations have been previously associated with different forms of primary immunodeficiency. Here we describe a novel combined immunodeficiency due to an IKZF3 mutation in a family presenting with T and B cell involvement, Pneumocystis jirovecii pneumonia, and/or chronic lymphocytic leukemia. Patients carrying the AIOLOS p.N160S heterozygous variant displayed impaired humoral responses, abnormal B cell development (high percentage of CD21low B cells and negative CD23 expression), and abrogated CD40 responses. Naive T cells were increased, T cell differentiation was abnormal, and CD40L expression was dysregulated. In vitro studies demonstrated that the mutant protein failed DNA binding and pericentromeric targeting. The mutant was fully penetrant and had a dominant-negative effect over WT AIOLOS but not WT IKAROS. The human immunophenotype was recapitulated in a murine model carrying the corresponding human mutation. As demonstrated here, AIOLOS plays a key role in T and B cell development in humans, and the particular gene variant described is strongly associated with immunodeficiency and likely malignancy.
Piezo1–Pannexin1 complex couples force detection to ATP secretion in cholangiocytes
Authors: Desplat Angélique , Penalba Virginie , Gros Emeline , Parpaite Thibaud , Coste Bertrand , Delmas Patrick
Published: October 2021

Cholangiocytes actively contribute to the final composition of secreted bile. These cells are exposed to abnormal mechanical stimuli during obstructive cholestasis, which has a deep impact on their function. However, the effects of mechanical insults on cholangiocyte function are not understood. Combining gene silencing and pharmacological assays with live calcium imaging, we probed molecular candidates essential for coupling mechanical force to ATP secretion in mouse cholangiocytes. We show that Piezo1 and Pannexin1 are necessary for eliciting the downstream effects of mechanical stress. By mediating a rise in intracellular Ca2+, Piezo1 acts as a mechanosensor responsible for translating cell swelling into activation of Panx1, which triggers ATP release and subsequent signal amplification through P2X4R. Co-immunoprecipitation and pull-down assays indicated physical interaction between Piezo1 and Panx1, which leads to stable plasma membrane complexes. Piezo1–Panx1–P2X4R ATP release pathway could be reconstituted in HEK Piezo1 KO cells. Thus, our data suggest that Piezo1 and Panx1 can form a functional signaling complex that controls force-induced ATP secretion in cholangiocytes. These findings may foster the development of novel therapeutic strategies for biliary diseases.
Edge defects inducing asymmetric transverse domain walls created in Ni80Fe20 nanowires
Authors: Hoang Duc-Quang , Cao Xuan-Huu
Published: October 2021

Polycrystalline permalloy nanowires (NWs) with different widths were studied by means of a Lorentz microscope associated with micro-magnetic simulations. Each NW was designed to create a single head-to-head transverse domain wall (DW). Edge defects at the long edges of those NWs were incrementally controlled. Therein, a single pixel at different positions along the NW edges was removed. The horizontal NWs were rotated with different angles, i.e. ±5°, ±10°, ±30° and ±45°, to produce a certain level of edge roughness. Some curved NWs with different widths were also designed, simulated and patterned. Lorentz images of those curved NWs were recorded. The asymmetric levels of such created walls were measured and correlated to our wall phase diagram. The obtained results showed that the edge defects created along either side of a NW strongly induce the asymmetric level of a transverse DW.