bluuebunny/crossref_metadata_2025 huggingface dataset:
Energetics and exchange of xenon and water in a prototypic cryptophane-A biosensor structure
Authors: Hilla Perttu , Vaara Juha
Published: June 2022

Molecular and metadynamics simulations give unique information about the energetics, xenon exchange pathways and role of water molecules in Xe biosensors dissolved in their native aqueous environment.
Metal–organic framework (MOF)-derived plate-shaped CoS1.097 nanoparticles for an improved hydrogen evolution reaction
Authors: Sahu Nachiketa , Das Jiban K. , Behera J. N.
Published: June 2022

Plate-shaped CoS1.097 nanoparticles were synthesized from a Co-MOF precursor by optimizing the sulfurization temperature, and their hydrogen evolution performances have been investigated.
Low temperature (Zn,Sn)O deposition for reducing interface open-circuit voltage deficit to achieve highly efficient Se-free Cu(In,Ga)S2 solar cells
Authors: Sood Mohit , Adeleye Damilola , Shukla Sudhanshu , Törndahl Tobias , Hultqvist Adam , Siebentritt Susanne
Published: June 2022

Results show a low temperature atomic layer deposited (Zn,Sn)O buffer layer with optimum band alignment improves the translation of qFLs into VOC and consequently reduces the deficit between the qFLs and VOC of a Cu(In,Ga)S2 solar cell.
A natural plagioclase reference material for microbeam Sr isotopic analysis
Authors: Xu Lei , Yang Jin-Hui , Wang Hao , Li Youlian , Zhou Bao-Quan , Yang Yue-Heng , Huang Chao , Xie Lie-Wen , Wu Shi-Tou
Published: June 2022

Natural BDL plagioclase as a reference material for the determination of Sr isotopes by means of laser ablation multi-collector inductively coupled plasma mass spectrometry.
Mixed dimensionality of 2D/3D heterojunctions for improving charge transport and long-term stability in high-efficiency 1.63 eV bandgap perovskite solar cells
Authors: Jiang Jinkun , Tian Congcong , Zhang Zhiang , Liu Xiao (Xiao) , Wang Xin , Zheng Yiting , Zhang Zhanfei , Wang Luyao , Wu Xueyun , Liang Jianghu , Chen Chun-Chao
Published: June 2022

By using R-α-MBA with bromine terminal to develop 2D perovskite with mixed dimensionality on the 3D perovskite surface, an improved PCE of 21.48% with a FF of 82.44 was achieved for 1.63 eV bandgap perovskite solar cells.
DFT study of N,S co-doped graphene anodes for Na-ion storage and diffusion
Authors: Meng Qiangqiang , Pan Liping , Zhang Cang , Miao Meng , Lei Shulai , Sha Maolin
Published: June 2022

The capacity of the N,S co-doped graphene system for Na is improved.
Highly graphitic porous carbon preparedviaK2FeO4-assisted KOH activation for supercapacitors
Authors: Tan Yongtao , Ren Jining , Li Xiaoming , He Lijun , Chen Chengmeng , Li Haibo
Published: June 2022

K2FeO4-assisted KOH activation can improve the graphitization and porous structure to enhance the electrochemical performance of carbon materials.
The thermal stabilization behavior and mechanism of a metal organic framework with high thermal stability towards PVC
Authors: Wang Mei , Wang Guanglin , Song Xianghai , Jia Puyou , Zhou Bingliang , Bu Quan , Yuan Shouqi
Published: June 2022

Zn–Atz, CaSt2and TP synergistically stabilize PVC with high efficiency.
Modulated luminescence of zero-dimensional bimetallic all-inorganic halide clusters
Authors: Zhang Chao , Feng Xuezhen , Song Qilin , Zhou Chaocheng , Peng Lin , Liu Xiaolin , Chen Hong , Lin Jia
Published: June 2022

A series of new zero-dimensional bimetallic all-inorganic halide clusters were reported, and the luminescence of the clusters was regulated by both the B(i) connecting ions and B(iii) ions in the octahedral centers.
Multifunctional lanthanide MOF luminescent sensor built by structural designing and energy level regulation of a ligand
Authors: Liu Xueguang , Liu Wei , Kou Yao , Yang Xiaoshan , Ju Zhenghua , Liu Weisheng
Published: June 2022

In order to reduce usage cost and simplify the detection process, it is necessary to develop multifunctional and multi-emitter Ln-MOF luminescent sensors.
CIS QDs nucleated on oxygen vacancy rich BOI microplates: a hybrid photocatalyst with enhanced green energy production via mediator free Z-scheme dynamics
Authors: Prusty Deeptimayee , Mansingh Sriram , Parida K. M.
Published: June 2022

Efficacious H2 and O2 evolution over mediator free direct Z-scheme oriented 0D-2D CIS-BOI heterostructure photocatalyst.
LILBID-MS: using lasers to shed light on biomolecular architectures
Authors: Hellwig Nils , Martin Janosch , Morgner Nina
Published: June 2022

Structural Biology has moved beyond the aim of simply identifying the components of a cellular subsystem towards analysing the dynamics and interactions of multiple players within a cell. This focal shift comes with additional requirements for the analytical tools used to investigate these systems of increased size and complexity, such as Native Mass Spectrometry, which has always been an important tool for structural biology. Scientific advance and recent developments, such as new ways to mimic a cell membrane for a membrane protein, have caused established methods to struggle to keep up with the increased demands. In this review, we summarize the possibilities, which Laser Induced Liquid Bead Ion Desorption (LILBID) mass spectrometry offers with regard to the challenges of modern structural biology, like increasingly complex sample composition, novel membrane mimics and advanced structural analysis, including next neighbor relations and the dynamics of complex formation.
Autonomous air combat decision‐making of UAV based on parallel self‐play reinforcement learning
Authors: Li Bo , Huang Jingyi , Bai Shuangxia , Gan Zhigang , Liang Shiyang , Evgeny Neretin , Yao Shouwen
Published: June 2022

Aiming at addressing the problem of manoeuvring decision‐making in UAV air combat, this study establishes a one‐to‐one air combat model, defines missile attack areas, and uses the non‐deterministic policy Soft‐Actor‐Critic (SAC) algorithm in deep reinforcement learning to construct a decision model to realize the manoeuvring process. At the same time, the complexity of the proposed algorithm is calculated, and the stability of the closed‐loop system of air combat decision‐making controlled by neural network is analysed by the Lyapunov function. This study defines the UAV air combat process as a gaming process and proposes a Parallel Self‐Play training SAC algorithm (PSP‐SAC) to improve the generalisation performance of UAV control decisions. Simulation results have shown that the proposed algorithm can realize sample sharing and policy sharing in multiple combat environments and can significantly improve the generalisation ability of the model compared to independent training.
Infrared spectroscopy of free-floating planet candidates in Upper Scorpius and Ophiuchus
Authors: Bouy H. , Tamura M. , Barrado D. , Motohara K. , Castro Rodríguez N. , Miret-Roig N. , Konishi M. , Koyama S. , Takahashi H. , Huélamo N. , Bertin E. , Olivares J. , Sarro L. M. , Berihuete A. , Cuillandre J.-C. , Galli P. A. B. , Yoshii Y. , Miyata T.
Published: June 2022

Context.A rich population of low-mass brown dwarfs and isolated planetary mass objects has been reported in the Upper Scorpius and Ophiuchus star-forming complex.

Aims.We investigate the membership, nature, and properties of 17 of these isolated planetary mass candidates using low-resolution near-infrared spectra.

Methods.We investigated the membership by looking for evidence of their youth using four diagnostics: the slope of the continuum between theJandKsband, theHcont, and the TLI-g gravity-sensitive indices. In addition, we compared the spectra to young and field (old) M and L-dwarf standards.

Results.All the targets but one are confirmed as young ultracool objects, with spectral types between L0 and L6 and masses in the range 0.004–0.013M⊙, according to evolutionary models. The status of the last target is unclear at this point.

Conclusions.Only one possible contaminant has been identified among the 17 targets, suggesting that the contamination level of the original sample must be low (≲6%).
Menthacarin for long-term treatment of functional dyspepsia – Results from a clinical trial follow-up
Authors: Storr Martin , Stracke Berenike
Published: June 2022

Background Menthacarin was shown to be effective and safe in clinical trials in patients with functional dyspepsia (FD). Long-term treatment results have not been reported yet.

Methods An open-label, 11-month follow-up (FU) was offered to FD patients who had undergone treatment with Menthacarin (1 gastro-resistant capsule b.i.d. vs. placebo (PL)) in a 4-week, double-blind, clinical trial. During FU, all patients (former verum and PL) were treated with 1 gastro-resistant capsule Menthacarin b.i.d. Main outcomes were the changes in pain intensity and severity of sensation of pressure, heaviness, and fullness from original baseline and global improvement.

Results 70 patients were included in the analyses (former Menthacarin group: 36, former PL group: 34). At the end of the PL-controlled study phase, all 3 main efficacy variables were statistically significantly improved in the Menthacarin group compared to PL. In the FU phase, former PL patients started to improve under Menthacarin treatment towards the outcomes seen in the former Menthacarin group (alignment at approximately 6 months), while former Menthacarin patients showed sustained or even continuously improved outcomes by month 12. At study end, more than 90% of patients were “much or very much improved" in both groups. Menthacarin treatment was well tolerated.

Conclusions The favorable effects seen in the FU period suggest that Menthacarin is a valuable treatment option in FD patients who require symptomatic treatment also in the longer term for up to 12 months.
Increased Seroprevalence of Campylobacter jejuni, but not HEV, in healthcare workers in gastroenterological endoscopy
Authors: Dammermann Werner , von Menges Andrea , Lüth Stefan , Ullrich Sebastian , Singethan Katrin , Pischke Sven , Ritter Oliver
Published: June 2022

Background The exposure of healthcare workers (HCW) to fecal-orally transmitted pathogens like hepatitis E Virus (HEV), Campylobacter jejuni or Helicobacter pylori is still not known. The potential risk for employees or patients to acquire these infections through asymptomatic infected healthcare personnel has not yet been studied. Physicians and nurses in gastroenterology working in endoscopic workspaces were recruited. Employees from cardiology, presumed to possess a lower exposure, served as controls. The cytomegalovirus (CMV) seroprevalence was analyzed as a control pathogen without fecal-oral route of transmission. This study provides an objective view onto the potential exposure risk for HCW and patients in endoscopic workspaces. We hypothesize that HCW in gastroenterological endoscopy show a higher seroprevalence for fecal-oral pathogens like HEV, C. jejuni and H. pylori compared to HCW in cardiology.

Objective Primary objective was the assessment of antibody titers against HEV, C. jejuni and H. pylori in serum of HCW from gastroenterological endoscopy as well as cardiology. As a secondary objective we analyzed the seroprevalence against CMV.

Methods 65 HCW were from gastroenterological endoscopy (n=42) and cardiology (n=23) in three medical centers in the German federal states of Brandenburg, Hamburg and Schleswig-Holstein and were prospectively studied. Antibody titers were determined via ELISA in serum.

Results HCW in gastroenterological endoscopy showed a significantly higher C. jejuni seroprevalence for IgG (19.1 %) compared to HCW from the field of cardiology (8.7 %; p=0.04). IgA titers against C. jejuni were negligible. HEV seroprevalence for IgG did not differ significantly between HCW in gastroenterological endoscopy (7.1 %) and cardiology (8.7 %), respectively. IgA and IgM titers against HEV were also negligible. All other antibody titers against CMV and H. pylori showed no significant difference.

Conclusions Only the C. jejuni seroprevalence was significantly increased in HCW from the field of gastroenterological endoscopy. HEV seroprevalence showed no differences. The results for CMV and H. pylori were without pathological findings. However, there is no elevated risk for HEV exposure in medical staff working at an endoscopy unit, but for C. jejuni the protective measures might need to be improved.
The role of hormones in symptoms and pathophysiology of reflux and esophageal motility disorders
Authors: Singhartinger Franz Xaver , Wahl Lisa , Weitzendorfer Michael , Gantschnigg Antonia , Koch Oliver Owen , Emmanuel Klaus
Published: June 2022

Purpose A few studies suggest that hormones play a role in the motility of the lower esophagus, but data is rare. In this prospective study we evaluated the correlation between hormones (TSH, fT3, fT4, calcitonin, gastrin, and VIP) and gastroesophageal reflux disease (GERD), esophageal motility disorders, and gastrointestinal symptoms.

Methods 100 consecutive patients with reflux symptoms and dysphagia were hospitalized for diagnostic evaluation. Self-reporting questionnaires were handed out and patients routinely underwent serum analysis (TSH, fT3, fT4, calcitonin, gastrin, and VIP), 24-hour-pH-impendance monitoring, and high-resolution manometry.

Results Motility disorders were found in 38 out of 86 patients. There were no correlations between hormones, the DeMeester Score, and the lower esophageal sphincter pressure. A strong inverse relation between calcitonin and the Integrated Relaxation Pressure of the esophagogastric junction was found (r=–0.492; p<0.001). No correlations were found between hormone levels and the responses given in the questionnaires. Positive correlations, however, were found between VIP and gastrointestinal symptoms, as well as correlations between fT3 and dysphagia. Within the group with minor motility disorders, TSH and fT4 correlated with outcomes of the SCL-questionnaire. fT4 correlated with the typical symptoms, as well as the gastrointestinal symptoms (diarrhea, constipation, flatulence). TSH correlated with the typical symptoms. Moreover, a correlation between VIP and gas-bloat-symptoms was found within group II

Conclusions No correlation between TSH, fT3, fT4, gastrin, VIP, calcitonin, and GERD in the sense of acid reflux was found, although calcitonin seems to have an effect on the lower esophageal sphincter.
Acute Glycemic Variability and Functional Outcome in Patients with
Acute Ischemic Stroke: A Meta-Analysis
Authors: Lin Jinbo , Cai Chunsheng , Xie Yituan
Published: June 2022

Dysglycemia are involved in the development of functional impairment after acute
ischemic stroke (AIS). The aim of the study was to evaluate the association
between acute glycemic variability and functional outcome in patients with AIS.
Cohort studies were obtained by search Medline, Web of Science, Embase, Wanfang,
and China National Knowledge Infrastructure databases from inception to
November, 2021. A random-effect model which incorporates the intra-study
heterogeneity was chosen to pool the results. Ten cohort studies including 3038
patients were included, and 1319 (43.4%) had poor functional outcome
(modified Rankin Scale >2) up to three months after disease onset.
Pooled results showed that higher acute GV was associated with an increased risk
of poor functional outcome, as evidenced by GV evaluated by the standard
deviation of blood glucose (SDBG, OR: 1.91, 95% CI: 1.38 to 2.65,
I2=60%, p<0.001), the coefficient of variation of blood
glucose (OR: 2.03, 95% CI: 1.15 to 3.58, I2=17%,
p=0.02), the range of glucose (OR: 1.43, 95% CI: 1.11 to 1.83,
I2=22%, p=0.005), and the mean amplitude of glycemic
excursion (OR: 1.59, 95% CI: 1.10 to 2.31, I2=0%,
p=0.01). Subgroup analyses did not support that difference in study
design, treatments for AIS, mean age of the patients, duration for GV measuring,
or study quality would significantly affect the association between SDBG and
functional outcome after AIS. In conclusion, higher acute glycemic variability
may predict poor functional outcome within 3 months after AIS.
Triglyceride-Glucose Index and the Prognosis of Patients with Acute
Ischemic Stroke: A Meta-Analysis
Authors: Ma Xueling , Han Yuijia , Jiang Lai , Li Man
Published: June 2022

A higher triglyceride-glucose (TyG) index has been related to an increased
incidence of stroke in community population. A meta-analysis was performed to
evaluate the association between TyG index and prognosis in patients with acute
ischemic stroke (IS). Observational studies, which evaluated the influence of
TyG index on functional outcome and mortality in patients with acute IS were
retrieved by search the PubMed, Embase, Web of Science, Wanfang and China
National Knowledge Infrastructure databases from inception to February 20, 2022.
Two authors independently collected the data of study characteristics and
outcomes. A random-effect model was used to pool the results via incorporating
the influence of possible between-study heterogeneity. Eight cohort studies
involving 34 076 patients with acute IS contributed to the study. Pooled results
showed that a higher TyG index was independently associated with increased risks
of all-cause mortality (OR: 1.60, 95% CI: 1.19–2.15,
p=0.002; I2=78%) and poor functional outcome (OR: 1.37,
95% CI: 1.11–1.69, p=0.004; I2=71%).
Further sensitivity analyses by excluding one cohort study at a time showed
consistent results (p all<0.05). Subgroup analyses showed similar
results in prospective and retrospective cohort studies, in non-diabetic and
diabetic patients, and in studies with follow-up durations within 3 months and
of 12 months (p for subgroup analyses all>0.05). In conclusion, higher
TyG index is a predictor of all-cause mortality and poor functional outcome in
patients with acute IS, and TyG index may be useful for prognostic evaluation in
these patients.
Base-Catalyzed Synthesis of Flavones via Thiol-Assisted Sequential Demethylation/Cyclization of 1-(2-Methoxyphenyl)prop-2-yn-1-ones
Authors: Godoi Benhur , Heck Ritiele , Anjos Thiago , Giehl Maira R. , Schumacher Ricardo F.
Published: June 2022

Flavone and analogues represent an important class of biologically and pharmacologically active substances commonly found in the composition of diverse plants as part of the class of secondary metabolites. Herein, an efficient and regioselective synthetic strategy for the preparation of functionalized flavones is demonstrated through sequential demethylation/6-endo-dig intramolecular cyclization of propyn-1-ones, using catalytic amounts of base in the presence of a thiol, by employing NMP as the solvent. The reactions proceeded smoothly under transition-metal-free and open to air conditions, furnishing the desired six-membered heterocycles in moderate to excellent yields, in short reaction time.
Treating Concomitant Language and/or Phonology Impairment in Children Who Stutter
Authors: Hall Nancy E. , Singer Cara M. , Sawyer Jean
Published: June 2022

Stuttering can co-occur with phonological and/or language impairment in a nontrivial number of children. This article provides a framework for addressing concomitant phonology/language impairment and stuttering through the application of the World Health Organization's International Classification of Functioning, Disability and Health (ICF) framework. Described is a multifactorial approach to understanding stuttering, the application of the ICF to treating children who stutter with concomitant disorders, and models for structuring-related therapy. A case study is explored to illustrate this process and includes a sample treatment plan with goals, short-term objectives, and sample activities.
Stuttering and Autism Spectrum Disorders: Assessment and Treatment
Authors: Tetnowski John A. , Donaher Joseph
Published: June 2022

Dual diagnoses of autism spectrum disorders (ASDs) and stuttering have been reported in the literature, but little is known about how often they co-occur, the best practices for assessment, and even less about intervention. In this article, we gathered the data available on these issues and compiled and analyzed the sparse findings to offer suggestions for assessment and treatment. This article begins with a glossary of terms to promote consistency and understanding. Next, suggestions for assessment are provided along with a work sheet to document fluency breakdowns and monitor change. Suggestions for language and cognitive issues are also provided with a sample worksheet. Finally, an outline and explanation of stuttering/fluency goals for clients with these dual diagnoses are included. Case studies of two individuals who stutter and are diagnosed with ASD are presented to provide exemplars of how to assess and treat individuals with these dual diagnoses. Caveats on how to work with individuals with ASD and fluency disorders, based on our current understanding, are presented in the conclusion.
Renal Dysfunction in Patients with Liver Cirrhosis
Authors: Sobh Mahmoud , Abdalbary Mohamed , Abdelsalam Mostafa , Mohamed Amr El-Husseini
Published: June 2022

Liver cirrhosis is a major health problem that can affect people of different ages. It induces pivotal hemodynamic and metabolic systemic disturbances along with other organs dysfunction. Renal dysfunction in cirrhotic patients is not uncommon, and subtle renal impairment is an early and very frequent finding. Liver cirrhosis can afflict kidney functions through different mechanisms. Renal vasoconstriction is usually the initial response of splanchnic vasodilation and decreased effective renal plasma flow. This induces a reduction of intraglomerular pressure leading to stimulation of renin-angiotensin system to maintain the glomerular filtration rate. Other causes of renal dysfunction include electrolytes and acid-base disturbances, systemic inflammation, bile cast nephropathy, and intra-abdominal hypertension. Loss of renal reserve is usually the earliest manifestation of kidney dysfunction in cirrhotic patients. This makes the kidney supersensitive to any subsequent hemodynamic or metabolic abnormalities. Proper assessment of kidney function is one of the major challenges in cirrhotic patients. The use of serum creatinine and creatinine-based equations is inaccurate and can overestimate kidney function. Hepato-renal syndrome (HRS) is a life-threatening disorder. In the last decade, there was significant progress in understanding the mechanism of this mysterious disorder. In this article, we are focusing on different mechanisms of kidney dysfunction in cirrhotic patients and the major diagnostic and therapeutic challenges.
Diagnostic Accuracy and Cost Savings Associated with Dermoscopy: An Economic Study
Authors: Shir-az Ofir , Yaacobi Dafna Shilo , Berl Ariel , Yosefof Eyal , Grush Andrew E. , Shalom Avshalom
Published: June 2022

Cutaneous malignancies are the most common overall cancer worldwide. Dermoscopy is widely used among various specialties to evaluate skin lesions and to differentiate benign from malignant lesions. Our objective was to evaluate the diagnostic capability and the economic impact of dermoscopy. The accuracy of diagnoses and economic costs of treating skin lesions were compared between two periods: 2001 to 2007 (prior the use of dermoscopy) and 2009 to 2011 (following implementation of dermoscopy). During the earlier period, 6,549 skin lesions were excised, of which 1,042 (15.9%) were malignant. During the later period, 2,578 lesions were excised, of which 610 (23.7%) were malignant. The potential savings estimated for the Israeli health care system are 6,500,000 USD. The use of dermoscopy increases sensitivity in diagnosing malignant skin lesions, enables diagnoses at an earlier stage, and has the potential for major cost savings for the health care system.
Early Exposure of the Dorsal Surface of M1 Segment via the Distal Transsylvian Approach for Clipping of Anteroinferior-Projecting Middle Cerebral Artery Bifurcation Aneurysms
Authors: Sriamornrattanakul Kitiporn , Akharathammachote Nasaeng , Wongsuriyanan Somkiat
Published: June 2022

Background Middle cerebral artery bifurcation (MCAB) aneurysms are common intracranial aneurysms. Anteroinferior-projecting MCAB aneurysms, with M1 segment usually embedded into the deep part of the Sylvian fissure, cause some surgical challenges. The distal transsylvian approach (DTSA) allows M1 exposure from the dorsal surface for proximal control in the early step. Therefore, this study aimed to demonstrate the efficacy and safety of DTSA for clipping anteroinferior-projecting MCAB aneurysms.

Methods Among 97 patients with MCA aneurysms, 13 with anteroinferior-projecting MCAB aneurysms who underwent aneurysm clipping via the DTSA between June 2018 and January 2021 were retrospectively evaluated for the aneurysm obliteration rate, surgical complications, and outcomes.

Results Ten patients (76.9%) had ruptured MCAB aneurysms and three (23.1%) had incidentally discovered unruptured MCAB aneurysms. Favorable outcome was achieved in 100% of patients with good grade. The complete aneurysm obliteration rate was 100% without intraoperative lenticulostriate artery injury. Twelve (92.3%) patients had early identified distal M1 segment for proximal control, and one (7.7%) patient had premature rupture of aneurysm that achieved favorable outcome at 3 months postoperatively. Difficult M1 exposure and premature rupture occurred in the patient with MCAB located above the Sylvian fissure line. Permanent postoperative neurological deficit was detected in one patient due to severe vasospasm.

Conclusion DTSA, which simplify the early exposure of the dorsal surface of distal M1, is safe and effective for clipping anteroinferior-projecting MCAB aneurysms without extensive Sylvian fissure dissection. High-positioned MCAB requires careful dissection of the aneurysm neck with consideration of tentative clipping preparation.
Getting Closer or Falling Apart? Euro Area Countries After the Sovereign Debt Crisis
Authors: Bordignon Massimo , Gatti Nicolò , Onorato Massimiliano Gaetano
Published: June 2022

We study convergence and divergence dynamics in a sample of euro area countries by assembling an extensive dataset that contains information on public spending and policy outcomes in a variety of areas of government intervention including education, health, and civil justice from the early 1990s. We also focus on other important determinants of a country’s economic performance such as the level of regulation of product and labor markets, as well as the trust in political institutions, quality of governance, and inequality. Results show that despite divergent economic growth in the euro periphery countries after the 2010–2012 sovereign debt crisis, the quality of services and level of regulation did not deteriorate or indeed improved, increasing convergence with the core euro countries. However, the euro area sovereign debt crisis dramatically worsened citizens’ perceptions of quality of governance, as well as the level of social trust. This calls in question the future political viability of the EMU project and asks for reform.
Impact of school closure due to COVID-19 on phonemic awareness of first-grade primary school children
Authors: Coskun Kerem , Kara Cihan
Published: June 2022

The purpose of the present research was to disclose the impact of school closures due COVID-19 on phonemic awareness of first-grade primary school students. The research sample comprised two cohorts. Cohort-1 consisted of 59 first-grade primary school students, while there were 193 students in Cohort-2. A total of 252 first-grade primary school students were recruited into the research sample. Data were collected with the Phonemic Awareness Test which was specifically designed for the research. Mediation analysis was used for data analysis. Results of the mediation analysis indicated that school closures due to COVID-19 led to significant decreases in phonemic awareness of first-grade primary school students. Results are also discussed along with student–teacher interactions.
Incompressible limit of nonisentropic Hookean elastodynamics
Authors: Wang Jiawei
Published: June 2022

We study the incompressible limit of the compressible nonisentropic Hookean elastodynamics with general initial data in the whole space Rd(d=2,3). First, we obtain the uniform estimates of the solutions in Hs(Rd) for s > d/2 + 1 being even and the existence of classic solutions on a time interval independent of the Mach number. Then, we prove that the solutions converge to the incompressible elastodynamic equations as the Mach number tends to zero.
Promise of nonthermal plasmas in addressing emerging environmental and health problems: Present and future
Authors: Foster John E. , Garcia Maria C.
Published: June 2022

Nonthermal atmospheric pressure plasmas transform input electrical energy efficiently into reactive species, charged particles, and photons. This “activated gas” is being investigated as solutions for a range of environmental and health problems facing society today. In this Perspective, we take a cursory look at a few of these societal problems and the reflected role that plasmas may play in charting the pathway to a solution buoyed by supporting research. Here, we survey the plasma-based opportunities in the removal of trace contaminants in water supporting methodologies such as water reuse, which addresses scarcity and pollution, the opportunity posed by plasmas-based chemical depolymerization for plastics recycling, and the application of plasmas for food security, which includes sterilization of foodstuffs and the improvement of crop yield. Finally, we also included a short review on how plasmas may help control disease spread. In each case, the scope of the problem is presented along with the potential plasma-based solution.
Perspective on plexciton based on transition metal dichalcogenides
Authors: Cao Yi , Sun Mengtao
Published: June 2022

Two-dimensional transition metal dichalcogenides (TMDCs) have outstanding physical advantages over graphene-like non-zero bandgap structures. It indicates that the monolayer TMDC material has significant light–material interaction, and it also implies that TMDCs have various application prospects in optoelectronic devices. The coupling of excitons and metal surface plasmons in monolayer TMDCs would affect the optical and electrical properties of the TMDC surface, and we revealed the improvement of surface catalytic reaction efficiency by plexcitons (coupling of excitons and plasmons) supported by recent experiments and theoretical reports. We also review the stress regulation on charge transfer excitons based on van der Waals (vdW) heterostructures composed of TMDCs, the special characteristics, and potential applications of coupling charge-transfer excitons with Ag plasmons in vdW and lateral heterostructures.
Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction framework: Treatments of triplet N-electron systems
Authors: Ríos Elías , Alcoba Diego R. , Lain Luis , Torre Alicia , Oña Ofelia B. , Massaccesi Gustavo E.
Published: June 2022

In this work, we perform variational calculations of two-electron reduced density matrices corresponding to open-shell N-electron systems within the framework of the doubly occupied configuration interaction treatment, traditionally limited to studies of closed-shell systems. This has allowed us to provide a satisfactory description of molecular systems in triplet states following two methods. One of them adds hydrogen atoms at an infinite distance of the triplet system studied, constituting a singlet supersystem. The energies and reduced density matrices of the triplet system are obtained by removing the contributions of the added atoms from the singlet supersystem results. The second procedure involves variational determination of the two-electron reduced density matrices corresponding to the triplet systems by means of adequate couplings of basis-set functions. Both models have been studied by imposing N-representability conditions on the reduced density matrix calculations. Results obtained from these methods for molecular systems in triplet ground states are reported and compared with those provided by benchmark methods.
S2P2C12: A two-dimensional anisotropic Janus material with tunable Dirac cone
Authors: Zhang Wei , Chai Changchun , Yang Yintang
Published: June 2022

Based on first-principles calculations, we propose a two-dimensional anisotropic Janus material, S2P2C12, which can be obtained from doped graphene with S and P atoms. The cohesive energy of a S2P2C12 monolayer is as high as 6.11 eV/atom, which exceeds that of many experimentally existing two-dimensional materials and reflects its excellent stability. Electron band analyses demonstrate that the Janus S2P2C12 monolayer is a semimetal with a strongly anisotropic type-I Dirac cone, which is rare for two-dimensional materials of the Janus family. Such a Dirac cone survives in-plane strain and can be transformed into a type-III Dirac cone. Its high, direction-dependent Fermi velocity of over 105 m/s is indispensable for emerging high-speed flexible electronic devices.
Fully resonant magneto-elastic spin-wave excitation by surface acoustic waves under conservation of energy and linear momentum
Authors: Geilen Moritz , Nicoloiu Alexandra , Narducci Daniele , Mohseni Morteza , Bechberger Moritz , Ender Milan , Ciubotaru Florin , Hillebrands Burkard , Müller Alexandru , Adelmann Christoph , Pirro Philipp
Published: June 2022

We report on the resonant excitation of spin waves in micro-structured magnetic thin films by short-wavelength surface acoustic waves (SAWs). The spin waves as well as the acoustic waves are studied by micro-focused Brillouin light scattering spectroscopy. At low magnetic bias fields, a resonant phonon–magnon conversion is possible, which results in the excitation of short-wavelength spin waves. Using micromagnetic simulations, we verify that during this excitation both energy and linear momentum are conserved and fully transferred from the SAW to the spin wave. This conversion can already be detected after an interaction length of a few micrometers. Thus, our findings pave the way for miniaturized magneto-elastic spin-wave emitters for magnon computing.
Beating signals in CdSe quantum dots measured by low-temperature 2D spectroscopy
Authors: Wang Zhengjun , Hedse Albin , Amarotti Edoardo , Lenngren Nils , Žídek Karel , Zheng Kaibo , Zigmantas Donatas , Pullerits Tõnu
Published: June 2022

Advances in ultrafast spectroscopy can provide access to dynamics involving nontrivial quantum correlations and their evolutions. In coherent 2D spectroscopy, the oscillatory time dependence of a signal is a signature of such quantum dynamics. Here, we study such beating signals in electronic coherent 2D spectroscopy of CdSe quantum dots (CdSe QDs) at 77 K. The beating signals are analyzed in terms of their positive and negative Fourier components. We conclude that the beatings originate from coherent LO-phonons of CdSe QDs. No evidence for the QD size dependence of the LO-phonon frequency was identified.
Ultracold state-to-state chemistry for three-body recombination in realistic 3He2–alkaline-earth-metal systems
Authors: Wang Bin-Bin , Zhang Min , Han Yong-Chang
Published: June 2022

The ultracold state-to-state chemistry for three-body recombination (TBR) in realistic systems has recently been experimentally investigated with full quantum state resolution. However, many detected phenomena remain challenging to be explored and explained from the theoretical viewpoints because this generally requires computational powers beyond state of the art. Here, the product-state distributions after TBR of 3He2–alkaline-earth-metal systems, i.e., after the processes of 3He + 3He + X → 3HeX + 3He with X being 9Be, 24Mg, 40Ca, 88Sr, or 138Ba, in the zero-collision-energy limit are theoretically studied. Two propensity rules for the distribution of the products found in current experiments have been checked, and the mechanism underlying these product-state distributions is explored. Particularly, two main intriguing transition pathways are identified, which may be responsible for the nonlinear distribution of the products vs their respective rotational quantum number. In addition, the TBR rates of these systems are also influenced by details of the interaction potential and relevant nonadiabatic couplings.
Inverse design of Pancharatnam–Berry phase metasurfaces for all-optical image edge detection
Authors: Xu Dingyu , Yang Hua , Xu Wenhao , Zhang Wenshuai , Zeng Kuiming , Luo Hailu
Published: June 2022

In recent decades, optical analog computing has attracted considerable interest in image processing and optical engineering. However, the optical analog computing system composed of traditional optical devices is bulky and difficult to integrate in practical applications. Here, we propose a method for inversely designing Pancharatnam–Berry phase metasurfaces based on specified optical computing. Derived from the evolution of the Pancharatnam–Berry phase on the Poincaré sphere, the special relationship between local optical axis structure and phase can be obtained. On this basis, we inversely design several metasurfaces and applied them into optical analog computing as well as all-optical image edge detection.
Micro-strains, local stresses, and coherently diffracting domain size in shock compressed Al(100) single crystals
Authors: Turneaure Stefan J. , Gupta Y. M.
Published: June 2022

In situ x-ray diffraction (XRD) measurements and their analysis in Al single crystals shock compressed along the [100]-direction were utilized to examine shock wave induced microstructural heterogeneities. High-resolution XRD line profiles for the 200, 400, and 600 Al peaks were measured in uniaxial strain compression states to either 5.6 or 11.7 GPa and partial stress release to 3.5 or 6.6 GPa, respectively. Broadening of the XRD line profiles was analyzed to determine the magnitude of the longitudinal micro-strain distribution (0.195% and 0.28% full width at half maximum for 3.5 and 6.6 GPa stresses, respectively) and the size of coherently diffracting domains (CDDs) (0.125 and 0.07 μm for 3.5 and 6.6 GPa stresses, respectively). From the longitudinal micro-strain distributions, the distribution of local stress differences (or stress deviators) was obtained in the shocked state. The full width at half maximum of this distribution, a measure of the local stress inhomogeneities, is greater than half of the macroscopic stress difference for both 3.5 and 6.6 GPa peak stresses, suggesting considerable variation in local stress deviators. The CDD sizes determined here are comparable to characteristic length scales for defect-free regions determined from defect density measurements in post-shock recovery experiments. The present work represents an important step in understanding material microstructure and inhomogeneities in the shock-compressed state.
Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange–correlation kernels for dispersion terms
Authors: Xie Yi , Smith Daniel G. A. , Sherrill C. David
Published: June 2022

We report the implementation of a symmetry-adapted perturbation theory algorithm based on a density functional theory [SAPT(DFT)] description of monomers. The implementation adopts a density-fitting treatment of hybrid exchange–correlation kernels to enable the description of monomers with hybrid functionals, as in the algorithm by Bukowski, Podeszwa, and Szalewicz [Chem. Phys. Lett. 414, 111 (2005)]. We have improved the algorithm by increasing numerical stability with QR factorization and optimized the computation of the exchange–correlation kernel with its 2-index density-fitted representation. The algorithm scales as O(N5) formally and is usable for systems with up to ∼3000 basis functions, as demonstrated for the C60–buckycatcher complex with the aug-cc-pVDZ basis set. The hybrid-kernel-based SAPT(DFT) algorithm is shown to be as accurate as SAPT(DFT) implementations based on local effective exact exchange potentials obtained from the local Hartree–Fock (LHF) method while avoiding the lower-scaling [O(N4)] but iterative and sometimes hard-to-converge LHF process. The hybrid-kernel algorithm outperforms Hartree–Fock-based SAPT (SAPT0) for the S66 test set, and its accuracy is comparable to the many-body perturbation theory based SAPT2+ approach, which scales as O(N7), although SAPT2+ exhibits a more narrow distribution of errors.
A density scaling conjecture for aging glasses
Authors: Niss Kristine
Published: June 2022

The aging rate of glasses has traditionally been modeled as a function of temperature, T, and fictive temperature, while density, ρ, is not explicitly included as a parameter. However, this description does not naturally connect to the modern understanding of what governs the relaxation rate in equilibrium. In equilibrium, it is well known that the relaxation rate, γeq, depends on temperature and density. In addition, a large class of systems obeys density scaling, which means the rate specifically depends on the scaling parameter, Γ = e(ρ)/T, where e(ρ) is a system specific function. This paper presents a generalization of the fictive temperature concept in terms of a fictive scaling parameter, Γfic, and a density scaling conjecture for aging glasses in which the aging rate depends on Γ and Γfic.
Proposal for entangled x-ray beams
Authors: Durbin Stephen M.
Published: June 2022

A promising approach for direct detection of quantum entanglement in solid state materials is probing with entangled particles. X-rays are ideal for characterization of many materials but have not been generated as entangled pairs in useful numbers, even at the most powerful synchrotron sources. This proposal describes how x-rays in fully entangled N00N states (with N = 2) can be produced by applying Hong-Ou-Mandel interferometry at an x-ray synchrotron source. The technical requirements for indistinguishable photons, x-ray beamsplitters, and interferometer design are met with existing resources. The entangled x-ray biphotons can be filtered from the unavoidable single photon background by simple diffraction from an analyzer crystal, resulting in intense beams suitable for characterizing quantum materials.
Direct measurement of disk-to-head back-heating in HAMR using a non-flying test stage
Authors: Cheng Qilong , Sakhalkar Siddhesh V. , Bogy David B.
Published: June 2022

Heat assisted magnetic recording, as one of the next generation hard disk drive solutions to high areal density over 1 Tb/in.2, integrates a laser delivery system to facilitate data writing. A laser beam is launched from the recording head and is focused on the recording disk to locally heat the disk (400–500 °C), which is even hotter than the head temperature (150–250 °C). Therefore, understanding the thermal transport between the head and the disk is of great importance. In this paper, we used a non-flying test stage to exclude the strong air cooling caused by the rotating disk and performed the thermal transport experiments across a closing nanoscale air gap on two substrates (silicon wafer and AlMg-substrate disk). The experimental results show that the disk-to-head back-heating from the hot spot on the substrate can be directly measured in the case of the AlMg disk (∼2–10 °C), while the silicon case shows no back-heating due to its high thermal conductivity. It is demonstrated that the experimental setup is useful for thermal transport studies between two macroscopic surfaces and future development of such microelectronic devices.
Integration of silicon-vacancy centers in nanodiamonds with an optical nanofiber
Authors: Yalla Ramachandrarao , Kojima Y. , Fukumoto Y. , Suzuki H. , Ariyada O. , Shafi K. Muhammed , Nayak Kali P. , Hakuta Kohzo
Published: June 2022

We experimentally demonstrate the integration of silicon-vacancy centers in nanodiamonds (SiV-NDs) with an optical nanofiber (ONF). We grow SiV-NDs on seed NDs dispersed on a quartz substrate using a microwave plasma-assisted chemical vapor deposition method. First, we search and characterize SiV-NDs on a quartz substrate using an inverted confocal microscope and an atomic force microscope (AFM). Subsequently, we pick up SiV-NDs from the quartz substrate and deposit them on the surface of a free-standing ONF using the AFM tip. The fluorescence emission spectrum, photon count rate, and intensity correlations for SiV-NDs are systematically measured.
Influence of intrinsic or extrinsic doping on charge state of carbon and its interaction with hydrogen in GaN
Authors: Wu Shan , Yang Xuelin , Wang Zhenxing , Ouyang Zhongwen , Huang Huayang , Zhang Qing , Shang Qiuyu , Shen Zhaohua , Xu Fujun , Wang Xinqiang , Ge Weikun , Shen Bo
Published: June 2022

It has been established that the formation of point defects and their behaviors could be regulated by growth details such as growth techniques and growth conditions. In this work, we prove that C doping approaches have great influence on the charge state of CN, thus the interaction between H and C in GaN. For GaN with intrinsic C doping, which is realized by reducing the V/III ratio, CN mainly exists in the form of CN− charged from the higher concentration of VN and, thus, may attract H+ by coulomb interaction. Whereas for the extrinsically C doped GaN with propane as the doping source, the concentration of VN is reduced, and CN mainly exists in neutral charge state and, thus, nearly does not attract H ions. Therefore, we demonstrate that the interplay between H and C atoms is weaker for the extrinsically C doped GaN compared to the intrinsically doped GaN, thus gives a clear picture about the different charge states of CN and the formation of C–H complexes in GaN with different C doping approaches.
Multi-species temperature and number density analysis of a laser-produced plasma using dual-comb spectroscopy
Authors: Weeks Reagan R. D. , Zhang Yu , Harilal Sivanandan S. , Phillips Mark C. , Jones R. Jason
Published: June 2022

Dual-comb spectroscopy (DCS) represents a novel method of using absorption spectroscopy as a diagnostic tool for multispecies analysis of excitation temperatures and column densities in laser-produced plasmas (LPPs). DCS was performed on a LPP generated by ablating a multielement alloy containing Nd, Gd, and Fe. Transitions from all three elements were observed in absorption spectra measured from 530.08 to 535.19 nm at seven time-delays from 31 to 250 μs after ablation. The spectra were fit using a nonlinear regression algorithm to determine peak areas, and excitation temperatures and column densities were determined for the three atomic species separately using Boltzmann plots. The measured excitation temperatures of Nd I and Gd I showed good agreement at all time-delays, whereas the Fe I temperature was found to be higher, and the ratios between the column densities varied with delay. The observations are understood via effects of LPP spatial averaging, elemental fractionation, and molecular formation and are compared and contextualized with previous work studying LPPs using other spectroscopic techniques. A brief discussion of the precision and accuracy of the determined excitation temperatures and column densities is also presented.
Controlling proton volatility in SiO2-capped TiO2 thin films for neuromorphic functionality
Authors: Yajima T. , Pati S. P.
Published: June 2022

Volatile memories are one of the essential analog devices used in recent electronics, such as neuromorphic circuits and reservoir computing. However, since the application of volatile memories is relatively recent, basic research on the volatility function in the materials is still lacking. In this study, we focused on electrochemically doped protons inside the TiO2 thin film as one of the simplest platforms for volatile functions and aimed to clarify the design principle for volatile memories. It was found that the proton volatility from the TiO2 surface can be controlled by the slow proton diffusion inside a few-nm SiO2 cap layer, where TiO2 and SiO2 can be viewed as a proton container and a sealing cap, respectively. It was further shown that both volatile and nonvolatile protons exist in TiO2 thin films, and hence, suppressing the influence of the latter would be essential for exploiting functions from volatile protons. These results indicate that simple material stacks with nanoscale thickness can control volatile protons in solid-state devices, providing a basic design principle for volatile memories.