bluuebunny/crossref_metadata_2025 huggingface dataset:
Global distribution of soapberries (Sapindus L.) habitats under current and future climate scenarios
Authors: Liu Jiming , Wang Lianchun , Sun Caowen , Xi Benye , Li Doudou , Chen Zhong , He Qiuyang , Weng Xuehuang , Jia Liming
Published: October 2021

Sapindus (Sapindus L.) is a widely distributed economically important tree genus that provides biodiesel, biomedical and biochemical products. However, with climate change, deforestation, and economic development, the diversity of Sapindus germplasms may face the risk of destruction. Therefore, utilising historical environmental data and future climate projections from the BCC-CSM2-MR global climate database, we simulated the current and future global distributions of suitable habitats for Sapindus using a Maximum Entropy (MaxEnt) model. The estimated ecological thresholds for critical environmental factors were: a minimum temperature of 0–20 °C in the coldest month, soil moisture levels of 40–140 mm, a mean temperature of 2–25 °C in the driest quarter, a mean temperature of 19–28 °C in the wettest quarter, and a soil pH of 5.6–7.6. The total suitable habitat area was 6059.97 × 104 km2, which was unevenly distributed across six continents. As greenhouse gas emissions increased over time, the area of suitable habitats contracted in lower latitudes and expanded in higher latitudes. Consequently, surveys and conservation should be prioritised in southern hemisphere areas which are in danger of becoming unsuitable. In contrast, other areas in northern and central America, China, and India can be used for conservation and large-scale cultivation in the future.
The protective effect of the PDE-4 inhibitor rolipram on intracerebral haemorrhage is associated with the cAMP/AMPK/SIRT1 pathway
Authors: Dong Xiao-Liu , Wang Yan-Hui , Xu Jing , Zhang Nan
Published: October 2021

Rolipram specifically inhibits phosphodiesterase (PDE) 4, thereby preventing inactivation of the intracellular second messenger cyclic adenosine monophosphate (cAMP). Rolipram has been shown to play a neuroprotective role in some central nervous system (CNS) diseases. However, the role of PDE4 and the potential protective effect of rolipram on the pathophysiological process of intracerebral haemorrhage (ICH) are still not entirely clear. In this study, a mouse model of ICH was established by the collagenase method. Rolipram reduced brain oedema, blood–brain barrier (BBB) leakage, neuronal apoptosis and inflammatory cytokine release and improved neurological function in our mouse model of ICH. Moreover, rolipram increased the levels of cAMP and silent information regulator 1 (SIRT1) and upregulated the phosphorylation of AMP-activated protein kinase (AMPK). Furthermore, these effects of rolipram could be reversed by the SIRT1 inhibitor sirtinol. In conclusion, rolipram can play a neuroprotective role in the pathological process of ICH by activating the cAMP/AMPK/SIRT1 pathway.
Risk factor assessments of temporomandibular disorders via machine learning
Authors: Lee Kwang-Sig , Jha Nayansi , Kim Yoon-Ji
Published: October 2021

This study aimed to use artificial intelligence to determine whether biological and psychosocial factors, such as stress, socioeconomic status, and working conditions, were major risk factors for temporomandibular disorders (TMDs). Data were retrieved from the fourth Korea National Health and Nutritional Examination Survey (2009), with information concerning 4744 participants’ TMDs, demographic factors, socioeconomic status, working conditions, and health-related determinants. Based on variable importance observed from the random forest, the top 20 determinants of self-reported TMDs were body mass index (BMI), household income (monthly), sleep (daily), obesity (subjective), health (subjective), working conditions (control, hygiene, respect, risks, and workload), occupation, education, region (metropolitan), residence type (apartment), stress, smoking status, marital status, and sex. The top 20 determinants of temporomandibular disorders determined via a doctor’s diagnosis were BMI, age, household income (monthly), sleep (daily), obesity (subjective), working conditions (control, hygiene, risks, and workload), household income (subjective), subjective health, education, smoking status, residence type (apartment), region (metropolitan), sex, marital status, and allergic rhinitis. This study supports the hypothesis, highlighting the importance of obesity, general health, stress, socioeconomic status, and working conditions in the management of TMDs.
Relationship between physical activity time and intramuscular adipose tissue content of the thigh muscle groups of younger and older men
Authors: Ogawa Madoka , Tanaka Noriko , Yoshiko Akito , Oshida Yoshiharu , Koike Teruhiko , Akima Hiroshi
Published: October 2021

We investigated the effect of physical activity on muscle tissue size and intramuscular adipose tissue (IntraMAT) content in the thigh muscle groups of younger and older men. Twenty younger and 20 older men participated in this study. The muscle tissue cross-sectional area (CSA) and the IntraMAT content in the quadriceps femoris (QF), hamstrings (HM), hip adductors (AD), and mid-thigh total were measured using magnetic resonance imaging. The physical activity time was measured using a triaxial accelerometer, and four levels of physical activity were determined depending on the metabolic equivalent of task (METs), including sedentary (≤ 1.5 METs), light intensity (≤ 2.9 METs), moderate intensity (3.0–5.9 METs), and vigorous intensity (≥ 6.0 METs). No significant correlation was observed between the physical activity parameters and muscle tissue CSA in both groups. The IntraMAT content of the three muscle groups (QF, AD, and HM) and the total thigh was inversely correlated with the time of moderate-intensity physical activity (rs =  − 0.625 to − 0.489, P < 0.05, for all comparisons) in the young group, but not in the older group. These results indicate that IntraMAT accumulation was associated with the amount of moderate-physical activity in younger men.
The cardiac molecular setting of metabolic syndrome in pigs reveals disease susceptibility and suggests mechanisms that exacerbate COVID-19 outcomes in patients
Authors: Ziegler Olivia , Sriram Nivedita , Gelev Vladimir , Radeva Denitsa , Todorov Kostadin , Feng Jun , Sellke Frank W. , Robson Simon C. , Hiromura Makoto , Alexandrov Boian S. , Usheva Anny
Published: October 2021

Although metabolic syndrome (MetS) is linked to an elevated risk of cardiovascular disease (CVD), the cardiac-specific risk mechanism is unknown. Obesity, hypertension, and diabetes (all MetS components) are the most common form of CVD and represent risk factors for worse COVID-19 outcomes compared to their non MetS peers. Here, we use obese Yorkshire pigs as a highly relevant animal model of human MetS, where pigs develop the hallmarks of human MetS and reproducibly mimics the myocardial pathophysiology in patients. Myocardium-specific mass spectroscopy-derived metabolomics, proteomics, and transcriptomics enabled the identity and quality of proteins and metabolites to be investigated in the myocardium to greater depth. Myocardium-specific deregulation of pro-inflammatory markers, propensity for arterial thrombosis, and platelet aggregation was revealed by computational analysis of differentially enriched pathways between MetS and control animals. While key components of the complement pathway and the immune response to viruses are under expressed, key N6-methyladenosin RNA methylation enzymes are largely overexpressed in MetS. Blood tests do not capture the entirety of metabolic changes that the myocardium undergoes, making this analysis of greater value than blood component analysis alone. Our findings create data associations to further characterize the MetS myocardium and disease vulnerability, emphasize the need for a multimodal therapeutic approach, and suggests a mechanism for observed worse outcomes in MetS patients with COVID-19 comorbidity.
Immunoinformatics design of a novel epitope-based vaccine candidate against dengue virus
Authors: Fadaka Adewale Oluwaseun , Sibuyi Nicole Remaliah Samantha , Martin Darius Riziki , Goboza Mediline , Klein Ashwil , Madiehe Abram Madimabe , Meyer Mervin
Published: October 2021

Dengue poses a global health threat, which will persist without therapeutic intervention. Immunity induced by exposure to one serotype does not confer long-term protection against secondary infection with other serotypes and is potentially capable of enhancing this infection. Although vaccination is believed to induce durable and protective responses against all the dengue virus (DENV) serotypes in order to reduce the burden posed by this virus, the development of a safe and efficacious vaccine remains a challenge. Immunoinformatics and computational vaccinology have been utilized in studies of infectious diseases to provide insight into the host–pathogen interactions thus justifying their use in vaccine development. Since vaccination is the best bet to reduce the burden posed by DENV, this study is aimed at developing a multi-epitope based vaccines for dengue control. Combined approaches of reverse vaccinology and immunoinformatics were utilized to design multi-epitope based vaccine from the sequence of DENV. Specifically, BCPreds and IEDB servers were used to predict the B-cell and T-cell epitopes, respectively. Molecular docking was carried out using Schrödinger, PATCHDOCK and FIREDOCK. Codon optimization and in silico cloning were done using JCAT and SnapGene respectively. Finally, the efficiency and stability of the designed vaccines were assessed by an in silico immune simulation and molecular dynamic simulation, respectively. The predicted epitopes were prioritized using in-house criteria. Four candidate vaccines (DV-1–4) were designed using suitable adjuvant and linkers in addition to the shortlisted epitopes. The binding interactions of these vaccines against the receptors TLR-2, TLR-4, MHC-1 and MHC-2 show that these candidate vaccines perfectly fit into the binding domains of the receptors. In addition, DV-1 has a better binding energies of − 60.07, − 63.40, − 69.89 kcal/mol against MHC-1, TLR-2, and TLR-4, with respect to the other vaccines. All the designed vaccines were highly antigenic, soluble, non-allergenic, non-toxic, flexible, and topologically assessable. The immune simulation analysis showed that DV-1 may elicit specific immune response against dengue virus. Moreover, codon optimization and in silico cloning validated the expressions of all the designed vaccines in E. coli. Finally, the molecular dynamic study shows that DV-1 is stable with minimum RMSF against TLR4. Immunoinformatics tools are now applied to screen genomes of interest for possible vaccine target. The designed vaccine candidates may be further experimentally investigated as potential vaccines capable of providing definitive preventive measure against dengue virus infection.
Association between plasma homocysteine levels and cognitive deficits in Han Chinese patients with schizophrenia across age groups
Authors: Zhou Sumiao , Huang Yuanyuan , Feng Yangdong , Li Hehua , Wu Kai , Yang Mingzhe , Wu Fengchun , Huang Xingbing
Published: October 2021

It was still unclear how homocysteine (Hcy) levels and cognitive deficits change in patients with schizophrenia of various ages. The present article attempts to assess the relationship between Hcy levels and cognitive deficits in patients with schizophrenia across age groups, especially in young people. Totals of 103 patients and 122 healthy controls were included. All participants were stratified into four groups according to their age: 18–29 years, 30–39 years, 40–49 years, and 50–59 years. Clinical data, plasma Hcy levels, and cognitive function score were collected. Cognitive function was evaluated using the MATRICS Consensus Cognitive Battery of tests assessing speed of processing, verbal learning and memory, visual learning and memory, working memory, and attention/vigilance. Compared with the healthy group, Hcy levels increased significantly, and all the measured cognitive function score were significantly lower in all age groups of patients with schizophrenia (p < 0.001). Hcy levels were negatively associated with speed of processing (SoP), working memory (WM), and visual learning and memory (Vis Lrng) score in 18–29 years. Further multiple regression analysis showed that SoP were independently associated with Hcy levels in patients with schizophrenia aged 18–29 years (B = 0.74, t = 3.12, p = 0.008). Based on our results, patients with schizophrenia performed worse on cognitive assessments and Hcy levels were more closely related to cognition in young patients.
Reactivation of latent tuberculosis through modulation of resuscitation promoting factors by diabetes
Authors: Verma Arpana , Kaur Maninder , Singh Lakshya Veer , Aggarwal Divya , Verma Indu , Radotra Bishan D. , Sharma Sadhna
Published: October 2021

The evidence of an association between diabetes and latent tuberculosis infection (LTBI) remains limited and inconsistent. Thus, the study aims to delineate the role of diabetes in activation of latent tuberculosis infection. Murine model of latent tuberculosis and diabetes was developed, bacillary load and gene expression of resuscitation promoting factors (rpfA-E) along with histopathological changes in the lungs and spleen were studied. Treatment for LTBI [Rifampicin (RIF) + Isoniazid (INH)] was also given to latently infected mice with or without diabetes for 4 weeks. Diabetes was found to activate latent tuberculosis as the colony forming unit (CFU) counts were observed to be > 104in lungs and spleen. The gene expression ofhspXwas downregulated and that ofrpfBandrpfDwas observed to be upregulated in latently infected mice with diabetes compared to those without diabetes. However, no significant reduction in the CFU counts was observed after 4 weeks of treatment with RIF and INH. Diabetes helps in the progression of LTBI to active disease mainly through altered expression of resuscitation promoting factorsrpfBandrpfD, which can serve as important targets to reduce the shared burden of tuberculosis and diabetes.
Second primary malignancy among malignant solid tumor survivors aged 85 years and older
Authors: Zhang Zhijia , Liu Fei , Qu Yanlin , Qiu Liqian , Zhang Liqun , Yang Qiao
Published: October 2021

The cancer burden in the oldest old has increased rapidly. This study aimed to investigate the epidemiology of second primary malignancy (SPM) in malignant solid tumor survivors aged 85 years and older utilizing the Surveillance, Epidemiology, and End Results (SEER) database. A total of 128,466 malignant solid tumor patients had been identified between 2000 and 2011, including 6774 patients who developed a SPM. The overall crude incidence of developing a SPM was 5.3%. Considering death as a competing event, the 3, 5, and 10-year cumulative incidence was 1.9%, 3.2%, and 5.4%, respectively. Relative younger age, male gender, surgery history, local stage and first primary malignancy (FPM) site located in the urinary system were related to higher cumulative incidence. A median time interval of 24.0 months was found between diagnosis of FPM and SPM. The most common SPM site was digestive system, whereas the least common was oral cavity and pharynx. The median overall survival (OS) was 49.0 months, and the median survival after SPM was 13.0 months. Relative older age, male gender and black race were associated with worse OS and survival after SPM, as well as higher hazard ratios of death. In conclusions, this study performed a comprehensive analysis of SPM among malignant solid tumor survivors aged 85 years and older. Additional studies are needed to characterize the specific cancer type of interest.
Concentration of Na+-taurocholate-cotransporting polypeptide expressed after in vitro-transcribed mRNA transfection determines susceptibility of hepatoma cells for hepatitis B virus
Authors: Oswald Andreas , Chakraborty Anindita , Ni Yi , Wettengel Jochen M. , Urban Stephan , Protzer Ulrike
Published: October 2021

Infection of hepatocytes by hepatitis B virus (HBV) depends on surface expression of its receptor Na+-taurocholate-cotransporting polypeptide (NTCP), but sufficient NTCP expression is lacking in most cell lines. NTCP can be introduced by plasmid transfection or transduction by viral vectors to render cells permissive for HBV. However, transient transfection of hepatocyte-derived cell lines is inefficient, resulting in inhomogeneous protein expression and does not allow to adapt the level of NTCP expression. We therefore utilized in vitro transcribed mRNA to introduce NTCP into cells. Optimization using alternative cap structures and nucleotide modifications rendered mRNA transfection into different non-hepatic and hepatic cell lines very efficient. After transfection of mRNA, surface expression and functionality of NTCP was demonstrated by staining with an N-terminal HBV-preS peptide and bile acid uptake. Introduction of NTCP by mRNA transfection increased susceptibility of hepatoma cells to HBV in a dose-dependent manner. Transfection of NTCP mRNA into non-liver cells, in contrast, supported bile acid uptake but did still not render the cells permissive for HBV, demonstrating the requirement for additional host factors. Introduction of candidate host factors by mRNA transfection will allow for fast and convenient analysis of the viral life cycle using a transient, but reliable expression system.
Surface plasmon induced spot and line formation at interfaces of ITO coated LiNbO3 slabs and gigantic nonlinearity
Authors: Xiong Zuoren , Ma Xinyan , Pei Yanbo , Zhang Yingbin , Zhao Hua
Published: October 2021

Remarkable spots and lines were clearly observed at the two interfaces of indium-tin-oxide coated Z-cut Fe-doped lithium noibate plates under illumination by milliwatt continuous-wave laser light; this occurred because of the visible surface plasmons (SPs) supported by the promising non-metal plasmonic system. The intriguing observations are here explained via the SP-strengthened nonlinear effect, through consideration of the electrostatic field (which is comparable to the atomic field) and its large gradient; this hints at a promising, highly sensitive plasmonic system. The gigantic nonlinear effect discussed in this paper should be ubiquitously existed in many oxide ferroelectric/semiconductor combinations and is promising for visible plasmonic applications.
An automated and combinative method for the predictive ranking of candidate effector proteins of fungal plant pathogens
Authors: Jones Darcy A. B. , Rozano Lina , Debler Johannes W. , Mancera Ricardo L. , Moolhuijzen Paula M. , Hane James K.
Published: October 2021

Fungal plant-pathogens promote infection of their hosts through the release of ‘effectors’—a broad class of cytotoxic or virulence-promoting molecules. Effectors may be recognised by resistance or sensitivity receptors in the host, which can determine disease outcomes. Accurate prediction of effectors remains a major challenge in plant pathology, but if achieved will facilitate rapid improvements to host disease resistance. This study presents a novel tool and pipeline for the ranking of predicted effector candidates—Predector—which interfaces with multiple software tools and methods, aggregates disparate features that are relevant to fungal effector proteins, and applies a pairwise learning to rank approach. Predector outperformed a typical combination of secretion and effector prediction methods in terms of ranking performance when applied to a curated set of confirmed effectors derived from multiple species. We present Predector (https://github.com/ccdmb/predector) as a useful tool for the ranking of predicted effector candidates, which also aggregates and reports additional supporting information relevant to effector and secretome prediction in a simple, efficient, and reproducible manner.
Right frontal anxiolytic-sensitive EEG ‘theta’ rhythm in the stop-signal task is a theory-based anxiety disorder biomarker
Authors: Shadli Shabah M. , Ando Lynne C. , McIntosh Julia , Lodhia Veema , Russell Bruce R. , Kirk Ian J. , Glue Paul , McNaughton Neil
Published: October 2021

Psychiatric diagnoses currently rely on a patient’s presenting symptoms or signs, lacking much-needed theory-based biomarkers. Our neuropsychological theory of anxiety, recently supported by human imaging, is founded on a longstanding, reliable, rodent ‘theta’ brain rhythm model of human clinical anxiolytic drug action. We have now developed a human scalp EEG homolog—goal-conflict-specific rhythmicity (GCSR), i.e., EEG rhythmicity specific to a balanced conflict between goals (e.g., approach-avoidance). Critically, GCSR is consistently reduced by different classes of anxiolytic drug and correlates with clinically-relevant trait anxiety scores (STAI-T). Here we show elevated GCSR in student volunteers divided, after testing, on their STAI-T scores into low, medium, and high (typical of clinical anxiety) groups. We then tested anxiety disorder patients (meeting diagnostic criteria) and similar controls recruited separately from the community. The patient group had higher average GCSR than their controls—with a mixture of high and low GCSR that varied with, but cut across, conventional disorder diagnosis. Consequently, GCSR scores should provide the first theoretically-based biomarker that could help diagnose, and so redefine, a psychiatric disorder.
Development of a new highly sensitive serotonin sensor based on green synthesized silver nanoparticle decorated reduced graphene oxide
Authors: Moslah Maroua , Fredj Zina , Dridi Chérif
Published: October 2021

Electrochemical detection of serotonin (5-hydroxytryptamine, 5-HT) is proposed for the first time using a cost-effective and eco-friendly nanocomposite of AgNPs and rGO which is synthesized through an in situ green reduction process using rosemary leaf extract.
A rearrangement of saccharin-derived cyclic ketimines with 3-chlorooxindoles leading to spiro-1,3-benzothiazine oxindoles
Authors: Li Rui-Li , Fang Qing-Yun , Li Mei-Yuan , Wang Xiang-Shan , Zhao Li-Ming
Published: October 2021

An unusual rearrangement of saccharin-derived cyclic ketimines (SDCIs) and 3-chlorooxindoles has been developed to provide a series of spiro-1,3-benzothiazine oxindoles.
Reductive Ni-catalysis for stereoselective carboarylation of terminal aryl alkynes
Authors: Maiti Saikat , Rhlee Joon Ho
Published: October 2021

Reductive Ni-catalysis was used to achieveanti-addition selective alkylarylation of terminal aryl alkynes through a radical pathway.
Immunogenic cell death inducers for enhanced cancer immunotherapy
Authors: Li Yanhua , Liu Xiaohan , Zhang Xia , Pan Wei , Li Na , Tang Bo
Published: October 2021

Various ICD inducers and stimuli strategies to activate the antitumor immune response for fighting tumors are summarized in this paper.
Facile photochemical synthesis of main-chain-type semifluorinated alternating copolymers catalyzed by conventional amines or halide salts
Authors: Wang Yuxue , Tu Kai , Cheng Jiannan , He Enjie , Wang Jinying , Zhang Lifen , Cheng Zhenping
Published: October 2021

A new strategy for designing smart fluoropolymer materials in a green manner was successfully developed under irradiation with visible light at room temperature with only simple amines or halide salts as the catalyst for the first time.
Organocatalytic cascade reactions for multi-functionalized chiral cyclic ethers through vinylidene ortho-quinone methides
Authors: Jia Shiqi , Chang Yu , Tian Yuhong , Mao Hui , Qin Wenling , Wang Pengfei , Yan Hailong
Published: October 2021

An organocatalytic approach for installing various alcohols into the carbonyl of α,β-unsaturated ketones through VQM intermediates was achieved, followed by dearomatization to provide multi-functionalized chiral cyclic ethers via a cascade process.
Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol
Authors: Christopoulou Georgia , Tran Thierry , Worth Graham A.
Published: October 2021

Direct quantum dynamics have been used to generate coupled potential energy surfaces for the nonadiabatic photodissociation of phenol.
Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection
Authors: Francés-Monerris Antonio , García-Iriepa Cristina , Iriepa Isabel , Hognon Cécilia , Miclot Tom , Barone Giampaolo , Monari Antonio , Marazzi Marco
Published: October 2021

This study characterizes the interactions between the antiparasitic drug ivermectin and protein targets relevant in the replication cycle of SARS-CoV-2. The most persistent interactions are found for the human ACE2 and viral RBD proteins.
Na-ion mobility in P2-type Na0.5MgxNi0.17−xMn0.83O2 (0 ≤ x ≤ 0.07) from electrochemical and muon spin relaxation studies
Authors: Ma Le Anh , Palm Rasmus , Nocerino Elisabetta , Forslund Ola Kenji , Matsubara Nami , Cottrell Stephen , Yokoyama Koji , Koda Akihiro , Sugiyama Jun , Sassa Yasmine , Månsson Martin , Younesi Reza
Published: October 2021

The combination of electrochemical techniques and μ+SR helps to shed light on the Na-ion mobility in manganese-based cathode materials for sodium-ion batteries.
Identification of the acetaldehyde oxide Criegee intermediate reaction network in the ozone-assisted low-temperature oxidation of trans-2-butene
Authors: Conrad Alan R. , Hansen Nils , Jasper Ahren W. , Thomason Natasha K. , Hidaldo-Rodrigues Laura , Treshock Sean P. , Popolan-Vaida Denisia M.
Published: October 2021

Jet stirred reactor investigation of ozone-assisted low-temperature oxidation of trans-2-butene reveals an acetaldehyde oxide Criegee intermediate reaction network.
Impact of chirality on the amorphous state of conglomerate forming systems: a case study of N-acetyl-α-methylbenzylamine
Authors: Atawa Bienvenu , Couvrat Nicolas , Affouard Frédéric , Correia Natália T. , Coquerel Gérard , Saiter-Fourcin Allisson
Published: October 2021

The present work aims at addressing the issue of chirality in glassy and liquid states by evaluating its impact on glass forming ability, molecular mobility, heterogeneous equilibrium, and the tendency to form homochiral or heterochiral arrangements.
Nanoscale porous organic polymers for drug delivery and advanced cancer theranostics
Authors: Singh Nem , Son Subin , An Jusung , Kim Ilwha , Choi Minhyeok , Kong Na , Tao Wei , Kim Jong Seung
Published: October 2021

This tutorial review highlights the potential of nanoscale porous organic polymers in diagnosis and therapy of different types of cancers.
Hybrid scanning electrochemical cell microscopy-interference reflection microscopy (SECCM-IRM): tracking phase formation on surfaces in small volumes
Authors: Valavanis Dimitrios , Ciocci Paolo , Meloni Gabriel N. , Morris Peter , Lemineur Jean-François , McPherson Ian J. , Kanoufi Frédéric , Unwin Patrick R.
Published: October 2021

Interference reflection microscopy allows real-time visualisation of the scanning electrochemical cell microscopy meniscus and nanoscale features within it.
Inside the ensemble: unlocking the potential of one-at-a-time experiments with lab-on-a-chip automation
Authors: Ward Rob , Ravindran Sapna , R. Otazo Mariela , Cradock Braden , Avci Ebubekir , Gillies Graeme , Coker Christina , Williams Martin A. K.
Published: October 2021

Automated microfluidics, laser tweezers, particle detection for pairwise particle stickiness measurements.
Leaf-like copper oxide mesocrystals by collagen-assisted biomineralization show attractive biofunctional and electrochemical properties
Authors: He Huixia , Wei Wenyu , An Yongling , Feng Jinkui , Xiao Jianxi
Published: October 2021

A robust one-pot strategy based on collagen-templated biomineralization has been developed to create hierarchical CuO nanostructures with a good electrochemical performance.
The Z-scheme transfer of photogenerated electrons for CO2 photocatalytic reduction over g-ZnO/2H-MoS2 heterostructure
Authors: Ouyang Tianwei , Guo Jiaqing , Shen Haochen , Mu Manman , Shen Yongli , Yin Xiaohong
Published: October 2021

DFT study of the photocatalytic reduction on the Z-scheme g-ZnO/2H-MoS2 heterostructure promoted by band bending.
Tuning acid–base cooperativity to create bifunctional fiber catalysts for one-pot tandem reactions in water
Authors: Shi Xian-Lei , Jiang Lijuan , Sun Benyu , Liu Shuangshuang , Du Mengmeng , Hu Qianqian , Gong Honghui , Liu Baozhong
Published: October 2021

A simple and straightforward route to create acid–base bifunctional fiber catalysts for efficient one-pot tandem deprotection-Knoevenagel reactions in water.
An aggregation-induced emission platform for efficient Golgi apparatus and endoplasmic reticulum specific imaging
Authors: Xiao Peihong , Ma Ke , Kang Miaomiao , Huang Luyi , Wu Qian , Song Nan , Ge Jinyin , Li Dan , Dong Jianxia , Wang Lei , Wang Dong , Tang Ben Zhong
Published: October 2021

As two important subcellular organelles in eukaryotic cells, the Golgi apparatus (GA) and endoplasmic reticulum (ER) have recently captivated much interest due to their considerable importance in many biofunctions and role as critical biomarkers for various diseases.
Practical room temperature formaldehyde sensing based on a combination of visible-light activation and dipole modification
Authors: Liang Hongping , Guo Lanpeng , Cao Nengjie , Hu Huiyun , Li Hao , Frans de Rooij Nicolaas , Umar Ahmad , Algarni Hamed , Wang Yao , Zhou Guofu
Published: October 2021

The rich oxygen vacancies and dipoles are beneficial for the formation of electrons and charge transfer of sensing system, respectively. HCHO sensing performances were enhanced by the combination of visible-light activation and dipole modification.
Perspectives on Mental Health Screening in the Audiology Setting: A Focus Group Study Involving Clinical and Nonclinical Staff
Authors: Bennett Rebecca J. , Donaldson Sara , Mansourian Yazdan , Olaithe Michelle , Kelsall-Foreman India , Badcock Johanna C. , Eikelboom Robert H.
Published: October 2021

Purpose:

Audiology clinical guidelines recommend the use of mental health screening tools; however, they remain underutilized in clinical practice. As such, psychological concerns are frequently undetected in adults with hearing loss. This study aimed to better understand audiology clinic staff's perspectives (including audiologists, audiometrists, reception staff, and clinic managers) on how to improve detection of poor mental health by (a) exploring the role of audiology clinic staff in detecting psychological concerns in adults with hearing loss and (b) investigating the appropriateness, acceptability, and usability of several screening tools in an audiology setting.

Method:

Eleven audiology clinic staff (
M
age
= 33.9 ± 7.3, range: 25–51 years) participated in a semistructured focus group. First, participants discussed the role of audiology clinic staff in detecting psychological difficulties in adults with hearing loss, including current practices and needs for improving practices. Second, participants discussed the appropriateness, acceptability, and usability of nine standardized mental health screening tools commonly used in wider health care settings.

Results:

Audiology clinic staff described their role in being aware of, and detecting, psychological difficulties, as well as their part in promoting an understanding of the link between hearing loss and mental health. Participants described the need to provide support following detection, and highlighted barriers to fulfilling these roles. The use of mental health screening tools was considered to be client and context specific. The language used within the screener was identified as an important factor for its acceptability by audiology clinic staff.

Conclusions:

Audiology clinic staff acknowledged that they have an important role to play in the detection of psychological difficulties and identified the core barriers to using screening tools. Future research may explore the possibility of developing a mental health screening tool specific to the unique experiences of adults with comorbid hearing loss and mental health concerns.

Supplemental Material:

https://doi.org/10.23641/asha.16702501
Mercury’s exospheric He I 58.4 nm emission: Dependence on the orbital phase
Authors: Yoneda M. , Dima G. , Berdyugina S. V.
Published: October 2021

Aims. Emission from helium atoms in Mercury’s exosphere at 58.4 nm was observed by the Mariner 10 spacecraft in the 1970s. This emission is due to resonant scattering of solar radiation. Since Mercury’s orbit is ellipsoidal, solar radiation and wind fluxes on Mercury vary along its orbit. Furthermore, the flux of the solar He I 58.4 nm emission observed on Mercury varies with Mercury’s radial velocity with the Sun. Using model simulations, we demonstrate how Mercury’s exospheric He I 58.4 nm emission varies due to the periodic changes in solar radiation and wind.

Methods. The simulation is based on our Monte-Carlo model that accounts for changes in fluxes of the solar wind and radiation.

Results. The model results indicate that the He I 58.4 nm brightness varies by between one and three orders of magnitude along the planet’s orbit. These findings are strongly dependent on the intrinsic line width of the solar He I 58.4 nm emission.

Conclusions. Although this variation has never been observed because Mariner 10 only sampled emission near Mercury’s aphelion, we expect this variation to be observable by new missions, such as BepiColombo and Hisaki. Our results are also important for the characterization of exoplanets with ultraviolet space missions.
Den Arbeitsplatz sichern – Jobcoaching
Authors: Marotzki Ulrike , Weber Lisa
Published: October 2021

Wird ein Jobcoach in einem Betrieb hinzugezogen, ist das Arbeitsverhältnis oft so massiv belastet, dass eine Kündigung im Raum steht. Dennoch gelingt es Jobcoaches in den meisten Fällen, dass das Arbeitsverhältnis erhalten bleibt. Dafür müssen sie alle Beteiligten mit ihren unterschiedlichen Interessen, Perspektiven und Bedürfnissen auf einen gemeinsamen Kurs bringen.
Multimodale Gruppentherapie bei Demenz – MAKS-Therapie®
Authors: Diehl Kristina , Gräßel Elmar , Luttenberger Katharina
Published: October 2021

Um das Fortschreiten einer Demenzerkrankung abzumildern, werden psychosoziale Therapien empfohlen. Die multimodale MAKS-Therapie®, bestehend aus den vier Komponenten motorisch, alltagspraktisch, kognitiv und sozial-kommunikativ, ist hierfür geeignet. Ihre Wirksamkeit wurde durch mehrere große Studien belegt.
Moyal equation—Wigner distribution functions for anharmonic oscillators
Authors: Truong T. T.
Published: October 2021

We investigate the structure of Wigner distribution functions of energy eigenstates of quartic and sextic anharmonic oscillators. The corresponding Moyal equations are shown to be solvable, revealing new properties of Schrödinger eigenfunctions of these oscillators. In particular, they provide alternative approaches to their determination and corresponding eigenenergies, away from the conventional differential equation method, which usually relies on the not so widely known bi- and tri-confluent Heun functions.
Quantifying surface free energy of molecular crystal β-HMX using non-equilibrium molecular dynamics methods
Authors: Brahmbhatt J. , Bidault X. , Chaudhuri S.
Published: October 2021

Granular molecular crystals show a large variation in the orientation, length, shape, and cohesive interactions of interfaces when embedded in a polymer matrix. But the determination of the associated excess of free energy is not straightforward, especially due to the entropic contribution which is not negligible for molecular compounds. The surface free energy (SFE) is also important to predict crystal shapes and growth or to prove crucial insights into the mesoscale interfaces in the granular composites often with interfacial defects, voids, and pores. In this paper, we use Molecular Dynamics (MD) and assess and adapt two non-equilibrium methods, namely, non-equilibrium thermodynamic integration (NETI) and modified steered MD (SMD), to determine the SFE of various facets of a high-energy molecular crystal of interest: β-HMX. Starting with defect-free surfaces, both methods agree well with experiment concerning the most stable facets, whose energy is further lowered by a large entropic contribution. For some facets, surface creation (debonding process) and annihilation (bonding process) show fundamentally different paths, henceforth irreversible. Then, we discuss some sources of discrepancy between theoretical and experimental SFE, considering non-reversible dissipative events, surface roughness, and differences between various experimental techniques. These non-equilibrium methods can be applied to a wide range of molecular crystals and to study interface stability in polycrystals or with binding polymers, including the effects of various defects.
Simultaneous generation of ultrahigh pressure and temperature to 50 GPa and 3300 K in multi-anvil apparatus
Authors: Xie Longjian , Chanyshev Artem , Ishii Takayuki , Bondar Dmitry , Nishida Keisuke , Chen Zhen , Bhat Shrikant , Farla Robert , Higo Yuji , Tange Yoshinori , Su Xiaowan , Yan BingMin , Ma Shuailin , Katsura Tomoo
Published: October 2021

We attempted to generate ultrahigh pressure and temperature simultaneously using a multi-anvil apparatus by combining the technologies of ultrahigh-pressure generation using sintered diamond (SD) anvils, which can reach 120 GPa, and ultrahigh-temperature generation using a boron-doped diamond (BDD) heater, which can reach 4000 K. Along with this strategy, we successfully generated a temperature of 3300 K and a pressure of above 50 GPa simultaneously. Although the high hardness of BDD significantly prevents high-pressure generation at low temperatures, its high-temperature softening allows for effective pressure generation at temperatures above 1200 K. High temperature also enhances high-pressure generation because of the thermal pressure. We expect to generate even higher pressure in the future by combining SD anvils and a BDD heater with advanced multi-anvil technology.
Chemical accuracy with σ-functionals for the Kohn–Sham correlation energy optimized for different input orbitals and eigenvalues
Authors: Fauser Steffen , Trushin Egor , Neiss Christian , Görling Andreas
Published: October 2021

Recently, a new type of orbital-dependent functional for the Kohn–Sham (KS) correlation energy, σ-functionals, was introduced. Technically, σ-functionals are closely related to the well-known direct random phase approximation (dRPA). Within the dRPA, a function of the eigenvalues σ of the frequency-dependent KS response function is integrated over purely imaginary frequencies. In σ-functionals, this function is replaced by one that is optimized with respect to reference sets of atomization, reaction, transition state, and non-covalent interaction energies. The previously introduced σ-functional uses input orbitals and eigenvalues from KS calculations with the generalized gradient approximation (GGA) exchange–correlation functional of Perdew, Burke, and Ernzerhof (PBE). Here, σ-functionals using input orbitals and eigenvalues from the meta-GGA TPSS and the hybrid-functionals PBE0 and B3LYP are presented and tested. The number of reference sets taken into account in the optimization of the σ-functionals is larger than in the first PBE based σ-functional and includes sets with 3d-transition metal compounds. Therefore, also a reparameterized PBE based σ-functional is introduced. The σ-functionals based on PBE0 and B3LYP orbitals and eigenvalues reach chemical accuracy for main group chemistry. For the 10 966 reactions from the highly accurate W4-11RE reference set, the B3LYP based σ-functional exhibits a mean average deviation of 1.03 kcal/mol compared to 1.08 kcal/mol for the coupled cluster singles doubles perturbative triples method if the same valence quadruple zeta basis set is used. For 3d-transition metal chemistry, accuracies of about 2 kcal/mol are reached. The computational effort for the post-self-consistent evaluation of the σ-functional is lower than that of a preceding PBE0 or B3LYP calculation for typical systems.
Aerodynamic drag modification induced by free-stream turbulence effects on a simplified road vehicle
Authors: Passaggia Pierre-Yves , Mazellier Nicolas , Kourta Azeddine
Published: October 2021

We report an extensive experimental investigation into the effects of inflow turbulence on a simplified road vehicle, the so-called square back Ahmed body. Variations reaching up to +16% and −17% of the drag coefficient are observed for free-stream turbulence representative of open-road conditions [J. W. Saunders and R. B. Mansour, “On-road and wind tunnel turbulence and its measurement using a four-hole dynamic probe ahead of several cars,” SAE Trans. 109, 477 (2000)]. Regular turbulence grids are mounted upstream the Ahmed body. The turbulence intensity and the integral length scale of turbulence are varied using different mesh, bar sizes, and solidity. The boundary layer developing around the body together with the structure of the wake is strongly altered by free-stream turbulence where both the length of the recirculation and the shear layer characteristics are modified. A weakly non-parallel stability analysis of the shear layers together with a momentum budget, both bounding the recirculation region, shows that coherent structures, traced through the Reynolds stresses and streamwise turbulent fluctuations, are the key mechanisms that control drag. Subsequently, the analysis of the shear layer together with the stability analysis demonstrate that the mean vertical shear is the key component that controls the Reynolds stresses and thereby the drag experienced by the vehicle. These findings raise the question of the importance of free-stream turbulence when considering studies dedicated to car aerodynamics and subsequent control strategies, most of which neglect the influence of inflow conditions. This issue is also of major importance for guiding the design of the next generation of control strategies for drag reduction.
Experimental evidence of enhanced broadband transmission in disordered systems with mirror symmetry
Authors: Davy Matthieu , Ferise Clément , Chéron Élie , Félix Simon , Pagneux Vincent
Published: October 2021

We demonstrate in microwave measurements the broadband enhancement of transmission through an opaque barrier due to mirror symmetry. This enhancement relies on constructive interference between mirror scattering paths resulting from strong internal reflections at the left and right interfaces of a multichannel cavity. We observe a strong sensitivity of the conductance to a shift of the barrier from the center of the cavity. Remarkably, the impact of mirror symmetry can be further increased by tuning the degree of disorder within the cavity. We report an additional enhancement of the conductance found by symmetrically placing randomly located scatterers. Our results illuminate the impact of symmetry and disorder correlation on transmission through complex systems.
Negative ion of hydrogen in dense semi-classical plasmas: Stability and zero-energy resonances
Authors: Das Biswajit , Masanta Nirvik , Ghoshal Arijit
Published: October 2021

The effects of dense semi-classical plasma (DSCP) on the ground state of the negative ion of hydrogen (H−) and on the dynamics of electron–hydrogen scattering have been investigated. DSCP is described by an effective potential which takes care of the collective effects of the plasma at large distances as well as the quantum mechanical effects of diffraction at small distances. An elaborative wave function is employed in the Rayleigh–Ritz variational method to compute the ground state energy of H− for various values of the plasma parameters. In particular, critical values of the plasma parameters are calculated accurately to make a detailed study on the stability of the ion embedded in DSCP. Furthermore, parameters related to the ground state of H− and H are used in the effective range theory to study the effects of DSCP on the dynamics of low-energy e − H(1s) scattering. Special emphasis is given to investigate the phenomenon of zero-energy resonances by computing the singlet scattering length near the critical values of the plasma parameters.
First principles study of photoelectrochemical water splitting in monolayer Sn2S2P4 with high solar-to-hydrogen efficiency
Authors: Liu Yu-Liang , Jiang Xin-Xin , Li Bo , Shi Ying , Liu De-Sheng , Yang Chuan-Lu
Published: October 2021

Exploring stable photocatalysts with superior optical absorption and high energy conversion efficiency is the key to water splitting. By means of the first-principles calculations, we report a ternary Sn2S2P4 monolayer with excellent stabilities. Remarkably, the material presents an indirect bandgap of 1.77 eV with the band edge perfectly crossing the redox potential of water. Monolayer Sn2S2P4 exhibits noticeable optical absorption and photocurrent density in the visible range and has adequate driving forces to trigger overall water splitting. Anisotropic and high carrier mobility facilitate the fast transport of photogenerated carriers. Moreover, a solar-to-hydrogen efficiency that reaches as high as 17.51% is theoretically predicted, thereby indicating that the Sn2S2P4 monolayer is a promising candidate for overall photocatalytic water splitting.
Thermal-assisted electroforming enables performance improvement by suppressing the overshoot current in amorphous carbon-based electrochemical metallization memory
Authors: Tian Qiaoling , Zhao Xiaoning , Zhang Xiaohan , Lin Huai , Wang Di , Xing Guozhong , Wang Zhongqiang , Lin Ya , Xu Haiyang , Liu Yichun
Published: October 2021

A thermal-assisted electroforming (TAE) method is proposed to address the current overshoot issue and improve the resistive switching (RS) performance of electrochemical metallization (ECM) memory with a Cu/amorphous carbon (a-C)/Pt structure. In the initial electroforming process, thermal treatment can promote the electrochemical formation of metallic conductive filament (CF). The required electroforming voltage is reduced, and the undesirable overshoot current is suppressed. As a result, the RS performance of the cell is improved, including reduced RS parameter fluctuations, enlarged off/on ratio, and enhanced cycling endurance. The cell can be operated with a low compliance current (ICC) of 50 μA, which is among the lowest value of reported a-C-based ECM memories. Benefit from the low ICC, multilevel memory with five nonvolatile resistance states in a single cell is obtained. The main role of the TAE method is interpreted as to avoid the extreme high-temperature caused by the overshoot current. Conductive-atomic force microscopy mapping implies that the suppression of overshoot current can avoid over-injection of Cu cations into the a-C layer, facilitating CF with a simple structure and low randomness. The present work offers a feasible approach for addressing the current overshoot issue and improving the performance of ECM memory.