bluuebunny/crossref_metadata_2025 huggingface dataset:
Changes in prevalence of mental disorders among internally displaced persons in central Sudan: a 1-year follow-up study
Authors: Sanhori Zienat , Hauff Edvard , Eide Arne H. , Mdala Ibrahimu , Abdelrahman Abdullah , Brunborg Cathrine , Lien Lars
Published: September 2020

Background

Sudan has one of the largest numbers of internally displaced persons (IDPs) in the world, estimated at five million. The main cause of displacement was the civil war. Attention to the health and in particular the mental health of IDPs has been lacking. That includes limited population longitudinal data describing the “natural” fluctuations of mental morbidity among these groups. The aim of this study is to investigate the level and stability of mental disorders among IDPs over a 1-year period.

Method

In this 1-year follow-up of IDPs in two settlement areas in central Sudan, 1549 persons 18 years or older were interviewed twice using the MINI International Neuropsychiatric Interview. Trained psychologists collected the data in a random household survey in the selected IDP areas.

Results

We found overall high stability among those having and those free of mental disorders in this 1-year follow-up study. There were, however, discernible and statistically significant increases in overall new cases of mental disorders from T1 to T2 as major depression increased by 1.4%, generalized anxiety by 2.8% and social phobia by 1.4%.

Conclusion

The study revealed continued high levels and increases of mental disorders over time, although with a pattern of substantial persistence among those initially ill and limited recovery. This might be due to a complex set of factors such as unavailability of mental health services, poverty, low educational level and social exclusion.
The Past, Present, and Future of Behavioral IR
Authors: Davis James W. , McDermott Rose
Published: September 2020

Originally developed by applying models from cognitive psychology to the study of foreign policy decision making, the field of behavioral IR is undergoing important transformations. Building on a broader range of models, methods, and data from the fields of neuroscience, biology, and genetics, behavioral IR has moved beyond the staid debate between rational choice and psychology and instead investigates the plethora of mechanisms selected by evolution for solving adaptive problems. This opens new opportunities for collaboration between scholars informed by rational choice and behavioral insights. Examining the interactions between the individual's genetic inheritance, social environment, and downstream behavior of individuals and groups, the emerging field of behavioral epigenetics offers novel insights into the methodological problem of aggregation that has confounded efforts to apply behavioral findings to IR. In the first instance empirical, behavioral IR raises numerous normative and philosophical questions best answered in dialogue with political and legal theorists.
Survival and predictors of deaths of patients hospitalised due to COVID-19 from a retrospective and multicentre cohort study in Brazil
Authors: Santos M. M. , Lucena E. E. S. , Lima K. C. , Brito A. A. C. , Bay M. B. , Bonfada D.
Published: September 2020

This study aimed to analyse the survival of patients admitted to Brazilian hospitals due to the COVID-19 and estimate prognostic factors. This is a retrospective, multicentre cohort study, based on data from 46 285 hospitalisations for COVID-19 in Brazil. Survival functions were calculated using the Kaplan–Meier's method. The log-rank test compared the survival functions for each variable and from that, hazard ratios (HRs) were calculated, and the proportional hazard model was used in Cox multiple regression. The smallest survival curves were the ones for patients at the age of 68 years or more, black/mixed race, illiterate, living in the countryside, dyspnoea, respiratory distress, influenza-like outbreak, O2 saturation <95%, X-ray change, length of stay in the intensive care unit (ICU), invasive ventilatory support, previous heart disease, pneumopathy, diabetes, Down's syndrome, neurological disease and kidney disease. Better survival was observed in the influenza-like outbreak and in an asthmatic patient. The multiple model for increased risk of death when they were admitted to the ICU HR 1.28, diabetes HR 1.17, neurological disease HR 1.34, kidney disease HR 1.11, heart disease HR 1.14, black or mixed race of HR 1.50, asthma HR 0.71 and pneumopathy HR 1.12. This reinforces the importance of socio-demographic and clinical factors as a prognosis for death.
“Who Will I Be?”: Relational Identity, Living with Amyotrophic Lateral Sclerosis, and Future-Oriented Decisionmaking
Authors: VERSALOVIC ERIKA , KLEIN ERAN
Published: September 2020

Patients with amyotrophic lateral sclerosis (ALS) face many difficult, timing-sensitive decisions over the course of their illness, weighing present versus future harms and benefits. Supplemented by interviews with people with ALS, we argue for a relational approach to understanding these decisions and their effects on identity. We highlight two critical aspects of the patient–caregiver relationship: (1) the extent to which each may rely on the other leaves their wellbeing intimately intertwined and (2) patients often require others to help with the imaginative task of considering possible futures for each therapeutic option. We show why family involvement in decisionmaking practices can be so critical, and shed light on the ways intimate others help preserve and protect people’s identities amidst the destabilizing uncertainty illness and treatment can bring.
The successful impact of adapting CBT in IAPT for people with complex long-term physical health conditions
Authors: Panchal Rupal , Rich Brian , Rowland Carly , Ryan Tessa , Watts Sarah
Published: September 2020

It is widely recognised that a diagnosis of a long-term physical health condition (LTC) is likely to have a significant impact on a person’s mental health. This is highlighted in the Five Year Forward View for Mental Health (NHS England, 2016) where significant numbers of patients projected to be seen through the expansion of Improving Access to Psychological Therapies (IAPT) services are to come from within the LTC community. IAPT services offer evidence-based therapeutic interventions for common mental health issues – anxiety disorders and depression. The South East Staffordshire IAPT services have developed an integrated pathway as a Wave 2 site for the delivery of cognitive behavioural therapy (CBT) adaptations for LTC. The main themes outlined in this paper focus on the innovations and service developments of IAPT-LTC including: the importance of engagement between mental health and medical healthcare professionals, identifying the key professionals in medical healthcare to enhance engagement, extended training for clinicians with in-house continued professional development, as an extension to the National IAPT-approved top-up training for LTC, and developments in clinical supervision structures and practice, along with future developments in the field of IAPT-LTC. These themes have direct relevance to CBT practitioners working within the LTC community in IAPT services. The four contrasting case studies demonstrate how the application of CBT can successfully be adapted to condition related beliefs and behaviours, despite the complexity of the medical condition. Findings show how integrated services and engaging with medical healthcare professionals had profound benefits for the patients, IAPT therapists and medical healthcare professionals.

Key learning aims

(1)

The good practice points in the development of the IAPT-LTC pathway within South East Staffordshire IAPT services.

(2)

The successful design and implementation of the IAPT-LTC pathway within South East Staffordshire IAPT services.

(3)

The key considerations of the interaction for patients between their physical and mental health symptoms.

(4)

The application of CBT adaptations for people with complex LTCs can be effective in improving psychological wellbeing and physical condition management.
Proxy evidence for state-dependence of climate sensitivity in the Eocene greenhouse
Authors: Anagnostou E. , John E. H. , Babila T. L. , Sexton P. F. , Ridgwell A. , Lunt D. J. , Pearson P. N. , Chalk T. B. , Pancost R. D. , Foster G. L.
Published: September 2020

Despite recent advances, the link between the evolution of atmospheric CO2 and climate during the Eocene greenhouse remains uncertain. In particular, modelling studies suggest that in order to achieve the global warmth that characterised the early Eocene, warmer climates must be more sensitive to CO2 forcing than colder climates. Here, we test this assertion in the geological record by combining a new high-resolution boron isotope-based CO2 record with novel estimates of Global Mean Temperature. We find that Equilibrium Climate Sensitivity (ECS) was indeed higher during the warmest intervals of the Eocene, agreeing well with recent model simulations, and declined through the Eocene as global climate cooled. These observations indicate that the canonical IPCC range of ECS (1.5 to 4.5 °C per doubling) is unlikely to be appropriate for high-CO2 warm climates of the past, and the state dependency of ECS may play an increasingly important role in determining the state of future climate as the Earth continues to warm.
Regioselective functionalization of aryl azoles as powerful tool for the synthesis of pharmaceutically relevant targets
Authors: Lutter Ferdinand H. , Grokenberger Lucie , Perego Luca Alessandro , Broggini Diego , Lemaire Sébastien , Wagschal Simon , Knochel Paul
Published: September 2020

Aryl azole scaffolds are present in a wide range of pharmaceutically relevant molecules. Their ortho-selective metalation at the aryl ring is challenging, due to the competitive metalation of the more acidic heterocycle. Seeking a practical access to a key Active Pharmaceutical Ingredient (API) intermediate currently in development, we investigated the metalation of 1-aryl-1H-1,2,3-triazoles and other related heterocycles with sterically hindered metal-amide bases. We report here a room temperature and highly regioselective ortho-magnesiation of several aryl azoles using a tailored magnesium amide, TMPMgBu (TMP = 2,2,6,6-tetramethylpiperidyl) in hydrocarbon solvents followed by an efficient Pd-catalyzed arylation. This scalable and selective reaction allows variation of the initial substitution pattern of the aryl ring, the nature of the azole moiety, as well as the nature of the electrophile. This versatile method can be applied to the synthesis of bioactive azole derivatives and complements existing metal-mediated ortho-functionalizations.
Cerebrovascular risk factors impact frontoparietal network integrity and executive function in healthy ageing
Authors: Veldsman Michele , Tai Xin-You , Nichols Thomas , Smith Steve , Peixoto João , Manohar Sanjay , Husain Masud
Published: September 2020

Healthy cognitive ageing is a societal and public health priority. Cerebrovascular risk factors increase the likelihood of dementia in older people but their impact on cognitive ageing in younger, healthy brains is less clear. The UK Biobank provides cognition and brain imaging measures in the largest population cohort studied to date. Here we show that cognitive abilities of healthy individuals (N = 22,059) in this sample are detrimentally affected by cerebrovascular risk factors. Structural equation modelling revealed that cerebrovascular risk is associated with reduced cerebral grey matter and white matter integrity within a fronto-parietal brain network underlying executive function. Notably, higher systolic blood pressure was associated with worse executive cognitive function in mid-life (44–69 years), but not in late-life (>70 years). During mid-life this association did not occur in the systolic range of 110–140 mmHg. These findings suggest cerebrovascular risk factors impact on brain structure and cognitive function in healthy people.
Population sequencing enhances understanding of tea plant evolution
Authors: Wang Xinchao , Feng Hu , Chang Yuxiao , Ma Chunlei , Wang Liyuan , Hao Xinyuan , Li A’lun , Cheng Hao , Wang Lu , Cui Peng , Jin Jiqiang , Wang Xiaobo , Wei Kang , Ai Cheng , Zhao Sheng , Wu Zhichao , Li Youyong , Liu Benying , Wang Guo-Dong , Chen Liang , Ruan Jue , Yang Yajun
Published: September 2020

Tea is an economically important plant characterized by a large genome, high heterozygosity, and high species diversity. In this study, we assemble a 3.26-Gb high-quality chromosome-scale genome for the ‘Longjing 43’ cultivar of Camellia sinensis var. sinensis. Genomic resequencing of 139 tea accessions from around the world is used to investigate the evolution and phylogenetic relationships of tea accessions. We find that hybridization has increased the heterozygosity and wide-ranging gene flow among tea populations with the spread of tea cultivation. Population genetic and transcriptomic analyses reveal that during domestication, selection for disease resistance and flavor in C. sinensis var. sinensis populations has been stronger than that in C. sinensis var. assamica populations. This study provides resources for marker-assisted breeding of tea and sets the foundation for further research on tea genetics and evolution.
Treatment of MRSA-infected osteomyelitis using bacterial capturing, magnetically targeted composites with microwave-assisted bacterial killing
Authors: Qiao Yuqian , Liu Xiangmei , Li Bo , Han Yong , Zheng Yufeng , Yeung Kelvin Wai Kwok , Li Changyi , Cui Zhenduo , Liang Yanqin , Li Zhaoyang , Zhu Shengli , Wang Xianbao , Wu Shuilin
Published: September 2020

Owing to the poor penetration depth of light, phototherapy, including photothermal and photodynamic therapies, remains severely ineffective in treating deep tissue infections such as methicillin-resistant Staphylococcus aureus (MRSA)-infected osteomyelitis. Here, we report a microwave-excited antibacterial nanocapturer system for treating deep tissue infections that consists of microwave-responsive Fe3O4/CNT and the chemotherapy agent gentamicin (Gent). This system, Fe3O4/CNT/Gent, is proven to efficiently target and eradicate MRSA-infected rabbit tibia osteomyelitis. Its robust antibacterial effectiveness is attributed to the precise bacteria-capturing ability and magnetic targeting of the nanocapturer, as well as the subsequent synergistic effects of precise microwaveocaloric therapy from Fe3O4/CNT and chemotherapy from the effective release of antibiotics in infection sites. The advanced target-nanocapturer of microwave-excited microwaveocaloric-chemotherapy with effective targeting developed in this study makes a major step forward in microwave therapy for deep tissue infections.
The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase
Authors: Shigdel Uddhav K. , Ovchinnikov Victor , Lee Seung-Joo , Shih Jenny A. , Karplus Martin , Nam Kwangho , Verdine Gregory L.
Published: September 2020

Efficient search for DNA damage embedded in vast expanses of the DNA genome presents one of the greatest challenges to DNA repair enzymes. We report here crystal structures of human 8-oxoguanine (oxoG) DNA glycosylase, hOGG1, that interact with the DNA containing the damaged base oxoG and the normal base G while they are nested in the DNA helical stack. The structures reveal that hOGG1 engages the DNA using different protein-DNA contacts from those observed in the previously determined lesion recognition complex and other hOGG1-DNA complexes. By applying molecular dynamics simulations, we have determined the pathways taken by the lesion and normal bases when extruded from the DNA helix and their associated free energy profiles. These results reveal how the human oxoG DNA glycosylase hOGG1 locates the lesions inside the DNA helix and facilitates their extrusion for repair.
Global correlates of terrestrial and marine coverage by protected areas on islands
Authors: Mouillot David , Velez Laure , Maire Eva , Masson Alizée , Hicks Christina C. , Moloney James , Troussellier Marc
Published: September 2020

Many islands are biodiversity hotspots but also extinction epicenters. In addition to strong cultural connections to nature, islanders derive a significant part of their economy and broader wellbeing from this biodiversity. Islands are thus considered as the socio-ecosystems most vulnerable to species and habitat loss. Yet, the extent and key correlates of protected area coverage on islands is still unknown. Here we assess the relative influence of climate, geography, habitat diversity, culture, resource capacity, and human footprint on terrestrial and marine protected area coverage across 2323 inhabited islands globally. We show that, on average, 22% of terrestrial and 13% of marine island areas are under protection status, but that half of all islands have no protected areas. Climate, diversity of languages, human population density and development are strongly associated with differences observed in protected area coverage among islands. Our study suggests that economic development and population growth may critically limit the amount of protection on islands.
Room temperature near unity spin polarization in 2D Van der Waals heterostructures
Authors: Zhang Danliang , Liu Ying , He Mai , Zhang Ao , Chen Shula , Tong Qingjun , Huang Lanyu , Zhou Zhiyuan , Zheng Weihao , Chen Mingxing , Braun Kai , Meixner Alfred J. , Wang Xiao , Pan Anlian
Published: September 2020

The generation and manipulation of spin polarization at room temperature are essential for 2D van der Waals (vdW) materials-based spin-photonic and spintronic applications. However, most of the high degree polarization is achieved at cryogenic temperatures, where the spin-valley polarization lifetime is increased. Here, we report on room temperature high-spin polarization in 2D layers by reducing its carrier lifetime via the construction of vdW heterostructures. A near unity degree of polarization is observed in PbI2 layers with the formation of type-I and type-II band aligned vdW heterostructures with monolayer WS2 and WSe2. We demonstrate that the spin polarization is related to the carrier lifetime and can be manipulated by the layer thickness, temperature, and excitation wavelength. We further elucidate the carrier dynamics and measure the polarization lifetime in these heterostructures. Our work provides a promising approach to achieve room temperature high-spin polarizations, which contribute to spin-photonics applications.
Purification of HCC-specific extracellular vesicles on nanosubstrates for early HCC detection by digital scoring
Authors: Sun Na , Lee Yi-Te , Zhang Ryan Y. , Kao Rueihung , Teng Pai-Chi , Yang Yingying , Yang Peng , Wang Jasmine J. , Smalley Matthew , Chen Pin-Jung , Kim Minhyung , Chou Shih-Jie , Bao Lirong , Wang Jing , Zhang Xinyue , Qi Dongping , Palomique Juvelyn , Nissen Nicolas , Han Steven-Huy B. , Sadeghi Saeed , Finn Richard S. , Saab Sammy , Busuttil Ronald W. , Markovic Daniela , Elashoff David , Yu Hsiao-hua , Li Huiying , Heaney Anthony P. , Posadas Edwin , You Sungyong , Yang Ju Dong , Pei Renjun , Agopian Vatche G. , Tseng Hsian-Rong , Zhu Yazhen
Published: September 2020

We report a covalent chemistry-based hepatocellular carcinoma (HCC)-specific extracellular vesicle (EV) purification system for early detection of HCC by performing digital scoring on the purified EVs. Earlier detection of HCC creates more opportunities for curative therapeutic interventions. EVs are present in circulation at relatively early stages of disease, providing potential opportunities for HCC early detection. We develop an HCC EV purification system (i.e., EV Click Chips) by synergistically integrating covalent chemistry-mediated EV capture/release, multimarker antibody cocktails, nanostructured substrates, and microfluidic chaotic mixers. We then explore the translational potential of EV Click Chips using 158 plasma samples of HCC patients and control cohorts. The purified HCC EVs are subjected to reverse-transcription droplet digital PCR for quantification of 10 HCC-specific mRNA markers and computation of digital scoring. The HCC EV-derived molecular signatures exhibit great potential for noninvasive early detection of HCC from at-risk cirrhotic patients with an area under receiver operator characteristic curve of 0.93 (95% CI, 0.86 to 1.00; sensitivity = 94.4%, specificity = 88.5%).
Single pulse all-optical toggle switching of magnetization without gadolinium in the ferrimagnet Mn2RuxGa
Authors: Banerjee C. , Teichert N. , Siewierska K. E. , Gercsi Z. , Atcheson G. Y. P. , Stamenov P. , Rode K. , Coey J. M. D. , Besbas J.
Published: September 2020

Energy-efficient control of magnetization without the help of a magnetic field is a key goal of spintronics. Purely heat-induced single-pulse all-optical toggle switching has been demonstrated, but so far only in Gd-based amorphous ferrimagnet films. In this work, we demonstrate toggle switching in films of the half-metallic ferrimagnetic Heusler alloys Mn2RuxGa, which have two crystallographically-inequivalent Mn sublattices. Moreover, we observe the switching at room temperature in samples that are immune to external magnetic fields in excess of 1 T, provided they exhibit a compensation point above room temperature. Observation of the effect in compensated ferrimagnets without Gd challenges our understanding of all-optical switching. The dynamic behavior indicates that Mn2RuxGa switches in 2 ps or less. Our findings widen the basis for fast optical switching of magnetization and break new ground for engineered materials that can be used for nonvolatile ultrafast switches using ultrashort pulses of light.
Incorporation of biologic factors for the staging of de novo stage IV breast cancer
Authors: He Zhen-Yu , Lian Chen-Lu , Wang Jun , Lei Jian , Hua Li , Zhou Juan , Wu San-Gang
Published: September 2020

This study aimed to investigate the prognostic value of biological factors, including histological grade, estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor-2 (HER2) status in de novo stage IV breast cancer. Based on eligibility, patient data deposited between 2010 and 2014 were collected from the surveillance, epidemiology, and end results database. The receiver operating characteristics curve, Kaplan–Meier analysis, and Cox proportional hazard analysis were used for analysis. We included 8725 patients with a median 3-year breast cancer-specific survival (BCSS) of 52.6%. Higher histologic grade, HER2-negative, ER-negative, and PR-negative disease were significantly associated with lower BCSS in the multivariate prognostic analysis. A risk score staging system separated patients into four risk groups. The risk score was assigned according to a point system: 1 point for grade 3, 1 point if hormone receptor-negative, and 1 point if HER2-negative. The 3-year BCSS was 76.3%, 64.5%, 48.5%, and 23.7% in patients with 0, 1, 2, and 3 points, respectively, with a median BCSS of 72, 52, 35, and 16 months, respectively (P < 0.001). The multivariate prognostic analysis showed that the risk score staging system was an independent prognostic factor associated with BCSS. Patients with a higher risk score had a lower BCSS. Sensitivity analyses replicated similar findings after stratification according to tumor stage, nodal stage, the sites of distant metastasis, and the number of distant metastasis. In conclusion, our risk score staging system shows promise for the prognostic stratification of de novo stage IV breast cancer.
Interplay between $$k$$-core and community structure in complex networks
Authors: Malvestio Irene , Cardillo Alessio , Masuda Naoki
Published: September 2020

The organisation of a network in a maximal set of nodes having at least k neighbours within the set, known as $$k$$
k
-core decomposition, has been used for studying various phenomena. It has been shown that nodes in the innermost $$k$$
k
-shells play a crucial role in contagion processes, emergence of consensus, and resilience of the system. It is known that the $$k$$
k
-core decomposition of many empirical networks cannot be explained by the degree of each node alone,
or equivalently, random graph models that preserve the degree of each node (i.e., configuration model). Here we study the $$k$$
k
-core decomposition of some empirical networks as well as that of some randomised counterparts, and examine the extent to which the $$k$$
k
-shell structure of the networks can be accounted for by the community structure.
We find that preserving the community structure in the randomisation process is crucial for generating networks whose $$k$$
k
-core decomposition is close to the empirical one. We also highlight the existence, in some networks, of a concentration of the nodes in the innermost $$k$$
k
-shells into a small number of communities.
Computational fluid dynamics model and flow resistance characteristics of Jatropha curcas L xylem vessel
Authors: Xu Tianyu , Zhang Lixiang , Li Ze
Published: September 2020

Xylem vessels are the channels used for water transport inJatropha curcasL. Vessel complexity has a great influence on water transport. Therefore, using anatomical experiments and numerical simulations, the water transport characteristics ofJ. curcasL xylem vessels with perforation plate and secondary wall thickening (pit structures) were analyzed. The results showed that the xylem vessel inJ. curcasprovided a low resistance path. The xylem vessel resistance was composed of three elements: smooth vessels, secondary wall thickening and perforation plate. The proportion of smooth vessel resistance was the largest, accounting for 66.20% of the total resistance. Then the secondary wall thickening resistance accounted for 30.20% of the total resistance, and finally the perforation plate resistance accounted for 3.60% of the total resistance. The total resistance of the vessel model was positively correlated with the pit depth, perforation plate height and perforation plate width and negatively correlated with the vessel inner diameter and pit membrane permeability. The vessel inner diameter and the pit depth had a great influence on the total resistance. The total resistance of the vessel inner diameter of 52 µm was 89.15% higher than that of 61 µm, the total resistance of the pit depth of 5.6 µm was 21.98% higher than that of 2.6 µm. The pit structure in the secondary wall thickening caused the vessel to be transported radially, and the radial transmission efficiency of the vessel was positively correlated with the pit depth and pit membrane permeability and negatively correlated with the vessel inner diameter. The pit membrane permeability had the greatest influence on the radial transmission efficiency, and its radial transmission efficiency was 0–5.09%.
Long-term effects of western diet consumption in male and female mice
Authors: Hasegawa Yu , Chen Shin-Yu , Sheng Lili , Jena Prasant Kumar , Kalanetra Karen M. , Mills David A. , Wan Yu-Jui Yvonne , Slupsky Carolyn M.
Published: September 2020

Long-term consumption of a diet with excessive fat and sucrose (Western diet, WD) leads to an elevated risk of obesity and metabolic syndrome in both males and females. However, there are sexual dimorphisms in metabolism which are apparent when considering the prevalence of complications of metabolic syndrome, such as non-alcoholic fatty liver disease. This study aimed to elucidate the impact of a WD on the metabolome and the gut microbiota of male and female mice at 5, 10, and 15 months to capture the dynamic and comprehensive changes brought about by diet at different stages of life. Here we show that there are important considerations of age and sex that should be considered when assessing the impact of diet on the gut microbiome and health.
Quantitative proteomic analysis of the tizoxanide effect in vero cells
Authors: Yamamoto K. A. , Blackburn K. , Migowski E. , Goshe M. B. , Brown D. T. , Ferreira D. F. , Soares M. R.
Published: September 2020

Nitazoxanide (NTZ) is effective against helminths and numerous microorganisms, including bacteria and viruses. In vivo, NTZ is metabolized into Tizoxanide (TIZ), which is the active circulating metabolite. With the emergence of SARS-Cov-2 as a Pandemic agent, NTZ became one of the molecules already approved for human use to engage clinical trials, due to results in vitro showing that NTZ was highly effective against the SARS-Cov-2, agent of COVID-19. There are currently several ongoing clinical trials mainly in the USA and Brazil involving NTZ due not only to the in vitro results, but also for its long-known safety. Here, we study the response of Vero cells to TIZ treatment and unveil possible mechanisms for its antimicrobial effect, using a label-free proteomic approach (LC/MS/MS) analysis to compare the proteomic profile between untreated- and TIZ-treated cells. Fifteen differentially expressed proteins were observed related to various biological processes, including translation, intracellular trafficking, RNA processing and modification, and signal transduction. The broad antimicrobial range of TIZ points towards its overall effect in lowering cell metabolism and RNA processing and modification. The decreased levels of FASN, HNRNPH and HNRNPK with the treatment appear to be important for antiviral activity.
TRPV6 calcium channel directs homeostasis of the mammary epithelial sheets and controls epithelial mesenchymal transition
Authors: Kärki Tytti , Rajakylä Eeva Kaisa , Acheva Anna , Tojkander Sari
Published: September 2020

Epithelial integrity is lost upon cancer progression as cancer cells detach from the primary tumor site and start to invade to the surrounding tissues. Invasive cancers of epithelial origin often express altered levels of TRP-family cation channels. Upregulation of TRPV6 Ca2+-channel has been associated with a number of human malignancies and its high expression in breast cancer has been linked to both proliferation and invasive disease. The mechanisms behind the potential of TRPV6 to induce invasive progression have, however, not been well elucidated. Here we show that TRPV6 is connected to both E-cadherin-based adherens junctions and intracellular cytoskeletal structures. Loss of TRPV6 from normal mammary epithelial cells led to disruption of epithelial integrity and abnormal 3D-mammo sphere morphology. Furthermore, expression level of TRPV6 was tightly linked to the levels of common EMT markers, suggesting that TRPV6 may have a role in the mesenchymal invasion of breast cancer cells. Thus, either too low or too high TRPV6 levels compromise homeostasis of the mammary epithelial sheets and may promote the progression of pathophysiological conditions.
Optimizing a quantum reservoir computer for time series prediction
Authors: Kutvonen Aki , Fujii Keisuke , Sagawa Takahiro
Published: September 2020

Quantum computing and neural networks show great promise for the future of information processing. In this paper we study a quantum reservoir computer (QRC), a framework harnessing quantum dynamics and designed for fast and efficient solving of temporal machine learning tasks such as speech recognition, time series prediction and natural language processing. Specifically, we study memory capacity and accuracy of a quantum reservoir computer based on the fully connected transverse field Ising model by investigating different forms of inter-spin interactions and computing timescales. We show that variation in inter-spin interactions leads to a better memory capacity in general, by engineering the type of interactions the capacity can be greatly enhanced and there exists an optimal timescale at which the capacity is maximized. To connect computational capabilities to physical properties of the underlaying system, we also study the out-of-time-ordered correlator and find that its faster decay implies a more accurate memory. Furthermore, as an example application on real world data, we use QRC to predict stock values.
Reliability of fNIRS for noninvasive monitoring of brain function and emotion in sheep
Authors: Chincarini Matteo , Dalla Costa Emanuela , Qiu Lina , Spinelli Lorenzo , Cannas Simona , Palestrini Clara , Canali Elisabetta , Minero Michela , Cozzi Bruno , Ferri Nicola , Ancora Daniele , De Pasquale Francesco , Vignola Giorgio , Torricelli Alessandro
Published: September 2020

The aim of this work was to critically assess if functional near infrared spectroscopy (fNIRS) can be profitably used as a tool for noninvasive recording of brain functions and emotions in sheep. We considered an experimental design including advances in instrumentation (customized wireless multi-distance fNIRS system), more accurate physical modelling (two-layer model for photon diffusion and 3D Monte Carlo simulations), support from neuroanatomical tools (positioning of the fNIRS probe by MRI and DTI data of the very same animals), and rigorous protocols (motor task, startling test) for testing the behavioral response of freely moving sheep. Almost no hemodynamic response was found in the extra-cerebral region in both the motor task and the startling test. In the motor task, as expected we found a canonical hemodynamic response in the cerebral region when sheep were walking. In the startling test, the measured hemodynamic response in the cerebral region was mainly from movement. Overall, these results indicate that with the current setup and probe positioning we are primarily measuring the motor area of the sheep brain, and not probing the too deeply located cortical areas related to processing of emotions.
High-resolution proteomics reveals differences in the proteome of spelt and bread wheat flour representing targets for research on wheat sensitivities
Authors: Afzal Muhammad , Pfannstiel Jens , Zimmermann Julia , Bischoff Stephan C. , Würschum Tobias , Longin C. Friedrich H.
Published: September 2020

Wheat consumption can trigger celiac disease, allergic reactions and non-celiac wheat sensitivity (NCWS) in humans. Some people with NCWS symptoms claim a better tolerability of spelt compared to bread wheat products. We therefore investigated potential differences in the proteomes of spelt and bread wheat flour using nano LC–ESI–MS/MS on a set of 15 representative varieties for each of the two species. Based on the bread wheat reference, we detected 3,050 proteins in total and for most of them the expression was mainly affected by the environment. By contrast, 274 and 409 proteins in spelt and bread wheat, respectively, had a heritability ≥ 0.4 highlighting the potential to influence their expression level by varietal choice. We found 84 and 193 unique proteins for spelt and bread wheat, respectively, and 396 joint proteins, which expression differed significantly (p ≤ 0.05) when comparing both species. Thus, about one third of proteins differed significantly between spelt and bread wheat. Of them, we identified 81 proteins with high heritability, which therefore might be interesting candidates for future research on wheat hypersensitivities.
Clinical assessment of adenosine stress and rest cardiac magnetic resonance T1 mapping for detecting ischemic and infarcted myocardium
Authors: Yimcharoen Sirilak , Zhang Shuo , Kaolawanich Yodying , Tanapibunpon Prajak , Krittayaphong Rungroj
Published: September 2020

Cardiac magnetic resonance (CMR) spin-lattice relaxation time (T1) may be influenced by pathologic conditions due to changes in myocardial water content. We aimed to validate the principle and investigate T1 mapping at rest and adenosine stress to differentiate ischemic and infarcted myocardium from controls. Patients with suspected coronary artery disease who underwent CMR were prospectively recruited. Native rest and adenosine stress T1 maps were obtained using standard modified Look-Locker Inversion-Recovery technique. Among 181 patients included, T1 values were measured from three groups. In the control group, 72 patients showed myocardium with a T1 profile of 1,039 ± 75 ms at rest and a significant increase during stress (4.79 ± 3.14%, p < 0.001). While the ischemic (51 patients) and infarcted (58 patients) groups showed elevated resting T1 compared to controls (1,040 ± 90 ms for ischemic; 1,239 ± 121 ms for infarcted, p < 0.001), neither of which presented significant T1 reactivity (1.38 ± 3.02% for ischemic; 1.55 ± 5.25% for infarcted). We concluded that adenosine stress and rest T1 mapping may be useful to differentiate normal, ischemic and infarcted myocardium.
Intensified ambulatory cardiology care: effects on mortality and hospitalisation—a comparative observational study
Authors: Sawicki Olga A. , Mueller Angelina , Glushan Anastasiya , Breitkreuz Thorben , Wicke Felix S. , Karimova Kateryna , Gerlach Ferdinand M. , Wensing Michel , Smetak Norbert , Bosch Ralph F. , Beyer Martin
Published: September 2020

Since 2010, an intensified ambulatory cardiology care programme has been implemented in southern Germany. To improve patient management, the structure of cardiac disease management was improved, guideline-recommended care was supported, new ambulatory medical services and a morbidity-adapted reimbursement system were set up. Our aim was to determine the effects of this programme on the mortality and hospitalisation of enrolled patients with cardiac disorders. We conducted a comparative observational study in 2015 and 2016, based on insurance claims data. Overall, 13,404 enrolled patients with chronic heart failure (CHF) and 19,537 with coronary artery disease (CAD) were compared, respectively, to 8,776 and 16,696 patients that were receiving usual ambulatory cardiology care. Compared to the control group, patients enrolled in the programme had lower mortality (Hazard Ratio: 0.84; 95% CI: 0.77–0.91) and fewer all-cause hospitalisations (Rate Ratio: 0.94; 95% CI: 0.90–0.97). CHF-related hospitalisations in patients with CHF were also reduced (Rate Ratio: 0.76; 95% CI: 0.69–0.84). CAD patients showed a similar reduction in mortality rates (Hazard Ratio: 0.81; 95% CI: 0.76–0.88) and all-cause hospitalisation (Rate Ratio: 0.94; 95% CI: 0.91–0.97), but there was no effect on CAD-related hospitalisation. We conclude that intensified ambulatory care reduced mortality and hospitalisation in cardiology patients.
Functional groups of rotifers and an exotic species in a tropical shallow lake
Authors: Arcifa Marlene Sofia , de Souza Bruno Barretto , de Morais-Junior Cláudio Simões , Bruno Cyntia Goulart Corrêa
Published: September 2020

In freshwater environments the rotifer group may be divided into microphagous and raptorial species regarding their feeding patterns, and such guilds differently interact with other community components. Here, we analyzed the influence of cladocerans, cyclopoid nauplii, temperature, food resources and an exotic species on rotifer guilds, based on weekly samplings for 1 year. We have identified rotifer species and their trophi types in order to separate them into the raptorial and microphagous functional groups. The ratio raptorial:microphagous rotifers (Guild ratio, GR) was used in interaction analyses with cladocerans, nauplii, temperature, food resources and the exotic speciesKellicottia bostoniensis. Correlations between total rotifers and food (phytoplankton carbon) and temperature were negative and significant, therefore, these factors did not lead to the increase of rotifer community. On the other hand, microphagous rotifers had opposing relation to cladoceran densities, as GR values showed that they became predominant when cladoceran populations declined. The use of density-based GR was adequate, with similar results compared to biomass-based studies regarding interactions with other organisms. Furthermore, we have found no invasive characteristics for the exotic microphagous rotifer,Kellicottia bostoniensis, and it seems to be outcompeted by the native microphagous species.
Dissipative particle dynamics model of homogalacturonan based on molecular dynamics simulations
Authors: Pieczywek P. M. , Płaziński W. , Zdunek A.
Published: September 2020

In this study we present an alternative dissipative particle dynamics (DPD) parametrization strategy based on data extracted from the united-atom molecular simulations. The model of the homogalacturonan was designed to test the ability of the formation of large-scale structures via hydrogen bonding in water. The extraction of coarse-grained parameters from atomistic molecular dynamics was achieved by means of the proposed molecule aggregation algorithm based on an iterative nearest neighbour search. A novel approach to a time-scale calibration scheme based on matching the average velocities of coarse-grained particles enabled the DPD forcefield to reproduce essential structural features of homogalacturonan molecular chains. The successful application of the proposed parametrization method allowed for the reproduction of the shapes of radial distribution functions, particle velocities and diffusivity of the atomistic molecular dynamics model using DPD force field. The structure of polygalacturonic acid molecules was mapped into the DPD force field by means of the distance and angular bond characteristics, which closely matched the MD results. The resulting DPD trajectories showed that randomly dispersed homogalacturonan chains had a tendency to aggregate into highly organized 3D structures. The final structure resembled a three-dimensional network created by tightly associated homogalacturonan chains organized into thick fibres.
Role of C4 carbon fixation in Ulva prolifera, the macroalga responsible for the world’s largest green tides
Authors: Liu Dongyan , Ma Qian , Valiela Ivan , Anderson Donald M. , Keesing John K. , Gao Kunshan , Zhen Yu , Sun Xiyan , Wang Yujue
Published: September 2020

Most marine algae preferentially assimilate CO2 via the Calvin-Benson Cycle (C3) and catalyze HCO3− dehydration via carbonic anhydrase (CA) as a CO2-compensatory mechanism, but certain species utilize the Hatch-Slack Cycle (C4) to enhance photosynthesis. The occurrence and importance of the C4 pathway remains uncertain, however. Here, we demonstrate that carbon fixation in Ulva prolifera, a species responsible for massive green tides, involves a combination of C3 and C4 pathways, and a CA-supported HCO3− mechanism. Analysis of CA and key C3 and C4 enzymes, and subsequent analysis of δ13C photosynthetic products showed that the species assimilates CO2 predominately via the C3 pathway, uses HCO3− via the CA mechanism at low CO2 levels, and takes advantage of high irradiance using the C4 pathway. This active and multi-faceted carbon acquisition strategy is advantageous for the formation of massive blooms, as thick floating mats are subject to intense surface irradiance and CO2 limitation.
Nano-clay as a solid phase microextractor of copper, cadmium and lead for ultra-trace quantification by ICP-MS
Authors: AlMasoud Najla , Habila Mohamed A. , Alothman Zeid A. , Alomar Taghrid S. , Alraqibah Nawaf , Sheikh Mohamed , Ghfar Ayman A. , Soylak Mustafa
Published: September 2020

Heavy metal microextraction and determination in daily used water is accurately achieved by applying nano-clay as an extractor.
Preparation of magnetic zeolitic imidazolate framework-67 composites for the extraction of phthalate esters from environmental water samples
Authors: Zhang Qingsong , Liu Guangyang , Cao Xiaolin , Yin Jungang , Zhang Ziping
Published: September 2020

In this paper, magnetic ZIF-67 composites were prepared by an in situ method and utilized in the magnetic solid-phase extraction of phthalate esters.
Facile one-pot synthesis of cyclic peptide-conjugated photosensitisers for targeted photodynamic therapy
Authors: Chu Jacky C. H. , Yang Caixia , Fong Wing-Ping , Wong Clarence T. T. , Ng Dennis K. P.
Published: September 2020

A facile synthetic strategy for in situ cyclisation of peptides and conjugation with functional boron dipyrromethenes (BODIPYs) using a bifunctional linker is reported.
Phosphazene-derived stable and robust artificial SEI for protecting lithium anodes of Li–O2batteries
Authors: Bai Wen-Long , Zhang Zhen , Chen Xin , Zhang Qiang , Xu Zhi-Xin , Zhai Guang-Yao , Lin Xiu , Liu Xin , Tadesse Tsega Tsegaye , Zhao Chuan , Wang Kai-Xue , Chen Jie-Sheng
Published: September 2020

An artificial solid electrolyte interphase with high ionic conductivity and mechanical robustness was designed to suppresses the growth of Li dendrites.
Facile synthesis of templated macrocellular nanocomposite scaffold via emulsifier-free HIPE-ROP
Authors: Agrawal Meenal , Yadav Anilkumar , Nandan Bhanu , Srivastava Rajiv K.
Published: September 2020

High internal phase emulsion (HIPE)-templated macrocellular nanocomposite scaffolds of crosslinked poly(ε-caprolactone) were produced using an emulsifier-free, single-step synthesis and showed superior resiliency and sorption capacity.
Arylacetylenes as two-carbon synthons: synthesis of eight-membered rings via CC bond cleavage
Authors: Zhao Peng , Yu Xiao-Xiao , Zhou You , Huang Chun , Wu Yan-Dong , Zhu Yan-Ping , Wu An-Xin
Published: September 2020

The first synthesis of eight-membered N-containing heterocycles by oxidative bicyclization/ring extension of arylacetylenes and aryl amines has been achieved.
Protection against chemical submission: naked-eye detection of γ-hydroxybutyric acid (GHB) in soft drinks and alcoholic beverages
Authors: Rodríguez-Nuévalos Silvia , Costero Ana M. , Arroyo Pau , Sáez José A. , Parra Margarita , Sancenón Félix , Martínez-Máñez Ramón
Published: September 2020

Chemosensors for naked-eye detection of the submission drug GHB in beverages.
3-D DNA nanodevices for on-site sensitive detection of antibiotic residues in food
Authors: Liu Xiaowen , Li Xia , Jia Liping , Cheng Guigaung , Leong David Tai , Xue Qingwang
Published: September 2020

Herein, we have developed a visual, digital, quantitative aptasensor based on binding-induced 3-D DNA nanodevices for the simple and sensitive detection of antibiotics on-the-spot.
All-metal Baird aromaticity
Authors: Chen Dandan , Szczepanik Dariusz W. , Zhu Jun , Solà Miquel
Published: September 2020

We have proven that Baird's rule can also be applied to a series of all-metal species with both σ- and π-aromaticity.
Selective polymerization of epoxides from hydroxycarboxylic esters: expediting controlled synthesis of α-carboxyl-ω-hydroxyl polyethers
Authors: Liu Shan , Liu Lijun , Chen Ye , Zhao Junpeng
Published: September 2020

Well-defined α-(di)carboxyl-ω-hydroxyl PEO/PPO are achieved through selective polymerization of ethylene/propylene oxide from hydroxycarboxylic esters followed by in situ hydrolysis.
Coordination microenvironment perturbed single-ion magnet behavior in a β-diketone Dy(iii) complex
Authors: Cen Peipei , Wang Meilin , Ma Xiufang , Chen Lei , Zhang Yi-Quan , Li Yonghong , Tian Danian , Liu Xiangyu
Published: September 2020

Employing mixed β-diketonate and bpy ligands leads to a mononuclear Dy(iii) SIM, of which the magneto-structural correlation is elucidated by the magnetic and theoretical studies, as well as a comparative study of reported analogues.
Formation of n → π+ interaction facilitating dissociative electron transfer in isolated tyrosine-containing molecular peptide radical cations
Authors: Tang Wai Kit , Mu Xiaoyan , Li Mengzhu , Martens Jonathan , Berden Giel , Oomens Jos , Chu Ivan K. , Siu Chi-Kit
Published: September 2020

IRMPD suggests existence of π-radicals of [FYGG]˙+ featuring the n → π+ interaction, which are reactive intermediates toward dissociative electron transfer.
On the SN2 reactions modified in vibrational strong coupling experiments: reaction mechanisms and vibrational mode assignments
Authors: Climent Clàudia , Feist Johannes
Published: September 2020

We study the mechanism of SN2 reactions modified in vibrational strong coupling experiments and propose a new assignment of the vibrational modes.
Structure-guided evolution of carbonyl reductase for efficient biosynthesis of ethyl (R)-2-hydroxy-4-phenylbutyrate
Authors: Tang Wen , Chen Lulu , Deng Jian , Kuang Yuyao , Chen Chao , Yin Bo , Wang Hualei , Lin Jinping , Wei Dongzhi
Published: September 2020

This study reported an attractive engineered carbonyl reductase fromGluconobacter oxydansthrough a structure-guided rational design to catalyze the synthesis of high concentration (R)-HPBE.