bluuebunny/crossref_metadata_2025 huggingface dataset:
Demographic considerations in analyzing decedents by usual occupation
Authors: Peterson Cora , Schumacher Pamela K. , Steege Andrea L.
Published: May 2020

Background

Public health research uses decedents’ usual industry and occupation (I&O) from US death certificates to assess mortality incidence and risk factors. Of necessity, such research may exclude decedents with insufficient I&O information, and assume death certificates reflect current (at time of death) I&O. This study explored the demographic implications of such research conditions by describing usual occupation and current employment status among decedents by demographic characteristics in a large multistate data set.

Methods

Death certificate occupations classified by Standard Occupational Classification (SOC) (ie, compensated occupation) and other categories (eg, student) for 36 507 decedents (suicide, homicide, other, undetermined intent) age 22+ years from the 2016 National Violent Death Reporting System's (NVDRS) 32 US states were analyzed. Decedents not employed at the time of death (eg, laid off) were identified through nondeath certificate NVDRS data sources (eg, law enforcement reports).

Results

Female decedents, younger (age < 30 years) male decedents, some non‐White racial group decedents, less educated decedents, and undetermined intent death decedents were statistically less likely to be classified by SOC based on death certificates—primarily due to insufficient information. Decedents classified by SOC from death certificates but whose non‐death certificate data indicated no employment at the time of death were more often 30+ years old, White, less educated, died by suicide, or had nonmanagement occupations.

Conclusions

Whether decedents have classifiable occupations from death certificates may vary by demographic characteristics. Research studies that assess decedents by usual I&O can identify and describe how any such demographic trends may affect research results on particular public health topics.
A Blinking Mesoporous TiO2−x Composed of Nanosized Anatase with Unusually Long‐Lived Trapped Charge Carriers
Authors: Zhang Tao , Low Jingxiang , Yu Jiaguo , Tyryshkin Alexei M. , Mikmeková Eliška , Asefa Tewodros
Published: May 2020

A mesoporous TiO2−x material comprised of small, crystalline, vacancy‐rich anatase nanoparticles (NPs) shows unique optical, thermal, and electronic properties. It is synthesized using polymer‐derived mesoporous carbon (PDMC) as a template. The PDMC pores serve as physical barriers during the condensation and pyrolysis of a titania precursor, preventing the titania NPs from growing beyond 10 nm in size. Unlike most titania nanomaterials, during pyrolysis the NPs undergo no transition from the anatase to rutile phase and they become catalytically active reduced TiO2−x. When exposed to a slow electron beam, the NPs exhibit a charge/discharge behavior, lighting up and fading away for an average period of 15 s for an extended period of time. The NPs also show a 50 nm red‐shift in their UV/Vis absorption and long‐lived charge carriers (electrons and holes) at room temperature in the dark, even long after UV irradiation. The NPs as photocatalysts show a good activity for CO2 reduction.
Synthesis and characterization of some binuclear metal complexes with a pentadentate azodye ligand: An experimental and theoretical study
Authors: Sarangi Ashish Kumar , Mahapatra Bipin Bihari , Mohapatra Ranjan Kumar , Sethy Sisir Kumar , Das Debadutta , Pintilie Lucia , Kudrat‐E‐Zahan Md. , Azam Mohammad , Meher Hemanta
Published: May 2020

A novel series of binuclear complexes with Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) ions derived from a pentadentate azo dye ligand (H3L) was synthesized and structurally investigated by various physicochemical analyses, namely, scanning electron microscopy, transmission electron microscopy, NMR, UV–visible spectroscopy, and Electron‐Spin Resonance (ESR) studies. The infrared spectral data revealed characteristic bands due to ν(N=N) and ν(C=O) at 1606 and 1631 cm−1in the free ligand. However, their positions shifted and appeared at ~1564 and ~1592 cm−1on coordination, suggesting the involvement of carbonyl oxygen and azo nitrogen in complex formation. The spectral data suggested octahedral geometry for the complexes. The kinetic parameters such as order and activation energy were determined from the thermal decomposition values. X‐ray powder diffraction analysis showed the orthorhombic nature of the cadmium complex. Furthermore, Density functional theory (DFT) calculations were also recorded to describe the insight bonding. The synthesized compounds were tested forin vitroantibacterial activity againstK. aerogenes,S. aureus,B. acidoterrestris,E. coli,andV. choleraestrains by the cup‐plate method. In addition, the interactions that occurred in the protein–ligand complexes have been predicted by docking analysis.
Multichanneled hierarchical porous nanocomposite CuO/carbonized butterfly wing and its excellent catalytic performance for thermal decomposition of ammonium perchlorate
Authors: Zhou Tingting , Qi Xiufang , Ma Yongjun , Pei Chonghua , Duan Xiaohui , Wu Bo
Published: May 2020

To meet the requirement of generating more apparent specific heat release at lower temperatures for ammonium perchlorate (AP)‐based composite solid propellants, the development of high‐performance catalysts for improving the thermal decomposition properties of AP still remains essential and challenging. Herein, a novel catalyst, multichanneled hierarchical porous nanocomposite of CuO and carbonized butterfly wing (CuO/CBW), has been prepared through an in‐situ reaction on original butterfly wing scales. Owing to the high active surface area and the good electrical and thermal conductivity, as well as the synergistic effect of CuO nanoparticles (20–25 nm) and CBW, CuO/CBW nanocomposite exhibits excellent catalytic activity for AP thermal decomposition in reducing the high‐temperature decomposition temperature by 88.3°C, lowering the apparent activation energy from 190.0 to 103.1 kJ mol−1 and increasing the heat release from 255 to 1841 J g−1.
Regulating the slow magnetic relaxation behavior of two different shapes Dy4clusters with in situ formed penta‐ and heptadentate Schiff base ligands
Authors: Zhu Zhong‐Hong , Wang Hai‐Ling , Fu Xiao‐Xiao , Zou Hua‐Hong , Liang Fu‐Pei
Published: May 2020

The design and synthesis of clusters possessing the same number of cores but different connection methods and properties have always been difficult. Herein, we used 2‐pyridinaldehyde, 1,3‐diamino‐2‐propanol, and Dy (ClO4)3·6H2O at room temperature (RT) to obtain the cluster [Dy4(L1)4(μ2‐OH)4]·4ClO4−(1, HL1= 2‐pyridinecarboxaldehyde‐1,3‐diamino‐2‐propanol) with square Dy4O8cluster cores. Cluster1consisted of four Schiff base ligands (L1)−, four Dy(III) ions, four bridged (μ2‐OH)−, and four free ClO4−. The ligand HL1was formed by in situ Schiff base reaction with 2‐pyridinecarbaldehyde and 1,3‐diamino‐2‐propanol in the presence of Dy(III) ions. 2‐Aldehyde‐8‐hydroxyquinoline, 1,3‐diamino‐2‐propanol, and Dy (NO3)3·6H2O reacted at RT to yield a tetranuclear Dy(III) cluster [Dy4(L2)2(μ3‐OH)2(NO3)4(EtOH)2]·2CH3CN (2, H3L2= 2‐aldehyde‐8‐hydroxyquinoline‐1,3‐diamino‐2‐propanol) with butterfly‐shaped Dy4O6cluster core. Cluster2consisted of two ligands (L2)3−, four Dy(III) ions, two bridgedμ3‐OH, two end‐group‐coordinated ethanol molecules, and four bidentate‐chelated NO3−. The in situ reaction of 2‐aldehyde‐8‐hydroxyquinoline and 1,3‐diamino‐2‐propanol under Dy(III) ion‐assisted catalytic conditions provided the ligand H3L2. It is worth noting that the magnetic test showed that1is a typical single‐molecule magnet (SMM), whereas2only showed a significant frequency dependence behavior. We considered Orbach and Raman processes (τ−1=τ0−1exp(−Ueff/kBT) +CTn) to fit1and2in the high‐temperature range and obtainedUeff= 7.01 and 5.43 K andτ0= 1.18 × 10−4and 4.14 × 10−5s, respectively.
Investigation of characteristic and performance of polyvinyl chloride ultrafiltration membranes modified with silica‐oriented multi walled carbon nanotubes
Authors: Mahmoudi Chahrazed , Demirel Elif , Chen Yongsheng
Published: May 2020

The complicated and dynamic nature of membrane fouling is one of the most challenging issues that need to be addressed to obtain an efficient membrane. In this work, silica‐oriented multiwalled carbon nanotubes (Si‐MWCNTs) are synthesized by the sol–gel method and characterized using several analytical techniques. Novel polyvinyl chloride (PVC) ultrafiltration membranes are fabricated by incorporation of Si‐MWCNT nanoparticles at varying loading levels (0–2 wt%) using the phase inversion method. Membrane morphology, chemical composition, thermal behavior, crystallinity, roughness, hydrophilicity, and mechanical strength are characterized and filtration performance is tested to compare the results with those of pristine PVC membranes. The results reveal that the addition of 0.5% Si‐MWCNT nanoparticles into the casting solution exhibits the highest flux (400 L/m2h), sodium alginate (SA) rejection rate (96%), and flux recovery ratio (93%) due to having the highest hydrophilicity, an improved structure, and surface properties revealed by surface morphology and bulk property analysis. Furthermore, the results of dynamic mechanical and nanoindentation analyses confirm that mechanical properties such as hardness, Young's modulus, and stiffness of the pristine membrane are significantly improved by the addition of Si‐MWCNT nanoparticles.
From head to hind: Elucidating function through contrasting morphometrics of ancient and modern pedigree dogs
Authors: Schoenebeck Jeffrey J. , Hamilton‐Dyer Sheila , Baxter Ian L. , Schwarz Tobias , Nussbaumer Marc
Published: May 2020

Used together, caliper‐ and geometric‐based morphometric analyses provide complimentary approaches to classifying form and function of archaeozoological remains. Here we apply these analytical tools to the skeletal remains of an ancient male dog unearthed from a rural farm settlement of Roman date near present day Warmington, United Kingdom. Our comparisons of the Warmington Roman dog against the morphological characteristics of modern dog breeds enabled us to establish the former's size and shape. It was of medium stature. Analysis of viscerocrania and neurocrania indicate it falls within the meso‐ to dolichocephalic rankings of modern dogs. The neurocranium shape and the dimensions of its long bones strongly suggest that the Warmington dog shares similarities to modern sight hounds. Historically sight hounds were bred for speed, as necessitated of a hunter that runs down small prey. Our analysis suggests that the Warmington dog was likely bred for, or derived from, Roman hunting stock. By revealing the Warmington Roman dog's form from cranial and postcranial analyses, we shed light on Roman life in one of the furthest outposts of the Roman Empire.
Mapping vascular and glomerular pathology in a rabbit model of neonatal acute kidney injury using MRI
Authors: Parvin Neda , Charlton Jennifer R. , Baldelomar Edwin J. , Derakhshan Jamal J. , Bennett Kevin M.
Published: May 2020

Acute kidney injury (AKI) in premature neonates is common due to the administration of life‐saving therapies. The impact of AKI on renal morphology and susceptibility to further renal damage is poorly understood. Recent advances in radiological imaging have allowed integration of soft tissue morphology in the intact organ, facilitating a more complete understanding of changes in tissue microstructure associated with pathology. Here, we applied magnetic resonance imaging (MRI) to detect both glomerular and vascular changes in a rabbit model of neonatal AKI, induced by indomethacin and gentamicin. Using combined spin‐echo MRI and cationic ferritin enhanced gradient‐echo MRI (CFE‐MRI), we observed (a) an increased cortical arterial diameter in the AKI cohort compared to healthy controls, and (b) focal loss of vascular density and glomerular loss in a circumferential band ~1 mm from the cortical surface. This combined use of vascular and glomerular imaging may give insight into the etiology of AKI and its impact on renal health later in life.
Small interfering RNA target for long noncoding RNA PCGEM1 increases the sensitivity of LNCaP cells to baicalein
Authors: Han Zeping , He Jinhua , Zou Maoxian , Chen Weiming , Lv Yubing , Li Yuguang
Published: May 2020

The objective of this study is to investigate the inhibitory effect and mechanism of long noncoding RNA PCGEM1 siRNA combined with baicalein on prostate cancer LNCaP cells. LNCaP cells transfected with small hairpin RNA lentiviral vector targeting PCGEM1 were constructed and their expression in LNCaP cells was absent. The stable cell line of LNCaP cells infected with LV3‐shRNA‐PCGEM1 was successfully constructed. In addition, LV3‐shRNA‐PCGEM1 was able to increase the baicalein‐induced inhibitory effects on LNCaP cells, and the susceptibility was 2.3 fold higher than that of baicalein alone. LV3‐shRNA‐PCGEM1 combined with baicalein also inhibited the colony formation, increased G2 and S phase cells, inhibited the expression of PCGEM1, and induced autophagy of LNCaP cells. In summary, LV3‐shRNA‐PCGEM1 may improve the sensitivity of LNCaP cells to baicalein, and the molecular mechanism may be associated with the decrease of PCGEM1 expression and the induction of autophagy. Our findings provided an experimental basis for the combined treatment of Chinese traditional and Western medicine on prostate cancer in a clinical setting.
Organized lymphatic tissue (BALT) in lungs of rhesus monkeys after air pollutant exposure
Authors: Pabst Reinhard , Miller Lisa A. , Schelegle Edward , Hyde Dallas M.
Published: May 2020

The presence of bronchus‐associated lymphoid tissue (BALT) and its size in humans largely depends upon age. It is detected in 35% of children less than 2 years of age, but absent in the healthy adult lung. Environmental gases or allergens may have an effect on the number of BALT. Lungs of rhesus macaque monkeys were screened by histology for the presence, size, and location of BALT after exposure to filtered air for 2, 6, 12, or 36 months or 12 and 36 months to ozone or 2, 12, or 36 months of house dust mite or a combination of ozone and house dust mite for 12 months. In the lungs of monkeys housed in filtered air for 2 months, no BALT was identified. After 6, 12, or 36 months, the number of BALT showed a significantly increased correlation with age in monkeys housed in filtered air. After 2 months of episodic house dust mite (HDM) exposure, no BALT was found. Monkeys exposed to HDM or HDM + ozone did not show a significant increase in BALT compared to monkeys housed in filtered air. However, monkeys exposed to ozone alone did show significant increases in BALT compared to all other groups. In particular, there were frequent accumulations of lymphocytes in the periarterial space of ozone exposed animals. In conclusion, BALT in rhesus monkeys housed under filtered air conditions is age‐dependent. BALT significantly increased in monkeys exposed to ozone in comparison with monkeys exposed to HDM.
Influence of melatonin and sexual hormones on the expression of proliferating cell nuclear antigen in the adrenal cortex of a seasonal breeder (Lagostomus maximus)
Authors: Gallol Luis Ezequiel , Busolini Fabricio Iván , Mohamed Fabian Heber
Published: May 2020

The viscacha (Lagostomus maximus) is a rodent of nocturnal habits, whose physiology and behavior vary according to modifications of environmental signals. The objective of this study is to assess the influence of melatonin and sexual hormones on the viscacha adrenal cortex proliferative activity through the immunohistochemical detection of proliferating cell nuclear antigen (PCNA) along with hormonal determinations. PCNA expression was studied in male viscachas to assess the effect of melatonin administration, castration, and the annual reproductive cycle. In female viscachas, PCNA was studied in nonpregnant and pregnant viscachas. PCNA expression was observed in adrenocortical cells (PCNA‐A) and endothelial cells (PCNA‐E). Melatonin‐administered animals showed a significantly lower number of PCNA‐A compared to the control group. No significant difference could be established in the number of PCNA‐A and PCNA‐E between castrated and control animals. However, the morphometric analysis showed an increase in the size of the cortex of castrated animals, along with other cytological features. Significant differences in serum testosterone levels were observed during the male viscacha reproductive cycle, with the lowest levels encountered during the regression period (winter). Male viscachas exhibited a significantly high number of PCNA‐A during late autumn and a high number of PCNA‐E during winter. In females, hormonal determinations showed a peak of progesterone and estrogen during mid‐pregnancy, along with a notably high number of PCNA‐A and an increase in the number of PCNA‐E. Our results suggest that proliferation in the adrenal cortex of the viscacha varies in relation to melatonin, sexual hormones, and environmental conditions.
Periconceptional folic acid supplement use among women of reproductive age and its determinants in central rural Germany: Results from a cross sectional study
Authors: Wegner Clara , Kancherla Vijaya , Lux Anke , Köhn Andrea , Bretschneider Dirk , Freese Kristina , Heiduk Mathias , Redlich Anke , Schleef Daniela , Jorch Gerhard , Rissmann Anke
Published: May 2020

Background

Prevalence of neural tube defects (NTD) has not decreased in Germany despite longstanding recommendations for folic acid supplementation. To examine the prevalence of periconceptional folic acid supplement use and associated factors among German women of reproductive age.

Methods

Cross‐sectional survey was conducted in hospital‐based maternity units in rural Germany. A sample of 1,004 women of reproductive age, either pregnant or in their early postpartum period, took interviewer/self‐administered paper‐based survey questionnaire. Prevalence of periconceptional folic acid supplement use was assessed, where periconception was defined as 1 month prior to and 3 months post‐conception. Prevalence odds ratios (POR) and 95% confidence intervals (CI) using crude and adjusted logistic regression analysis were estimated to examine determinants of folic acid supplement use.

Results

Prevalence of folic acid supplement use was 41.5% (95% CI: 37.7%, 45.7%). Multivariable analysis showed lack of educational qualifications, unplanned pregnancy, later diagnosis of pregnancy, increased parity, and not having an awareness of importance of folic acid for optimal pregnancy outcomes were associated with not taking periconceptional folic acid supplements. Books, doctors, friends, media, were sources of information.

Conclusion

Periconceptional folic acid is sub‐optimal in rural Germany and thus failing to prevent NTDs. Targeted promotion of folic acid supplement use should be conducted periodically by gynecologists and primary care physicians during annual medical screenings. Mandatory folic acid fortification of staple foods is a complementary approach to overcome limitations of individual behaviors of folic acid supplement intake, and should be considered as it has been proven effective in multiple countries.
3‐Methylglutaconic aciduria type VIII in an Indian neonate
Authors: Sreedhara Malla Sadashivappa , Balakrishnan Umamaheswari , Amboiram Prakash , Chandrasekeran Ashok , Abiramalatha Thangaraj , Mohammad Shafi Jan Shaik , Rajendran Usha Devi , Jeyaraman Thinesh Kumar
Published: May 2020

Neonatal encephalopathy manifests with altered sensorium, tone abnormalities, and often with abnormal movements and seizures. The causes are heterogeneous and many. We report a late preterm neonate who presented with depressed sensorium, cranial nerve abnormalities, mixed hypertonia and hypotonia, and respiratory failure. Neuroimaging and electrophysiological studies were normal. She had neutropenia and elevated lactates in blood. Her dried blood spot analysis by tandem MS/MS showed normal acylcarnitine and amino acid profile. Plasma and cerebro spinal fluid (CSF) amino acid quantification were inconclusive, CSF folate was normal. Urine organic acid analysis showed elevated lactate. Semi‐quantitative analysis of urine showed borderline elevation of 3‐methylglutaconic acid. Diagnosis of 3‐methylglutaconic aciduria (3MGA) type VIII was suggested by whole‐exome sequencing, which revealed a homozygous, likely pathogenic, missense mutation in Exon 2 of HTRA2 gene (chr2.74757898A>C). Her parents were found to be carriers of the same mutation. This underscores the importance of genetic studies in the evaluation of neonatal neuro‐metabolic disorders. We report the first case of 3MGA type VIII from our region with a review of already reported 11 cases.
The effectiveness of an interactive audio‐tactile map for the process of cognitive mapping and recall among people with visual impairments
Authors: Griffin Edward , Picinali Lorenzo , Scase Mark
Published: May 2020

Background

People with visual impairments can experience numerous challenges navigating unfamiliar environments. Systems that operate as prenavigation tools can assist such individuals. This mixed‐methods study examined the effectiveness of an interactive audio‐tactile map tool on the process of cognitive mapping and recall, among people who were blind or had visual impairments. The tool was developed with the involvement of visually impaired individuals who additionally provided further feedback throughout this research.

Methods

A mixed‐methods experimental design was employed. Fourteen participants were allocated to either an experimental group who were exposed to an audio‐tactile map, or a control group exposed to a verbally annotated tactile map. After five minutes’ exposure, multiple‐choice questions examined participants’ recall of the spatial and navigational content. Subsequent semi‐structured interviews were conducted to examine their views surrounding the study and the product.

Results

The experimental condition had significantly better overall recall than the control group and higher average scores in all four areas examined by the questions. The interviews suggested that the interactive component offered individuals the freedom to learn the map in several ways and did not restrict them to a sequential and linear approach to learning.

Conclusion

Assistive technology can reduce challenges faced by people with visual impairments, and the flexible learning approach offered by the audio‐tactile map may be of particular value. Future researchers and assistive technology developers may wish to explore this further.
SCAI cardiogenic shock classification after out of hospital cardiac arrest and association with outcome
Authors: Pareek Nilesh , Dworakowski Rafal , Webb Ian , Barash Jemma , Emezu Gift , Melikian Narbeh , Hill Jonathan , Shah Ajay , MacCarthy Philip , Byrne Jonathan
Published: May 2020

Objectives

We aimed to validate the Society for Cardiovascular Angiography and Interventions (SCAI) classification to evaluate association with outcome in a real‐world population and effect of invasive therapies.

Background

Cardiogenic shock is common after Out of Hospital Cardiac Arrest (OOHCA) but is often multifactorial and challenging to stratify.

Methods

The SCAI shock grade was applied to an observational registry of OOHCA patients on admission to our center between 2012 and 2017. The primary end‐point was 30‐day mortality and secondary end‐points were mode of death and 12‐month mortality. Provision of early CAG and mechanical circulatory support (MCS) was evaluated by SCAI shock grade using logistic regression.

Results

Three hundred and ninety‐three patients (median age 64.3 years (24.9% females) were included. One hundred and seven patients (27.2%) were in Grade A, 94 (23.9%) in Grade B, 66 (16.8%) in Grade C, 91 (23.2%) in Grade D, and 35 (8.9%) in Grade E. There was a step‐wise significant increase in 30‐day mortality with increasing shock grade (A 28.9% vs. B 33.0% vs. C 54.5% vs. D 59.3% vs. E 82.9%; p < .0001). With worsening shock grade, requirement for renal replacement therapy and mortality from multiorgan dysfunction syndrome and cardiogenic causes increased. Early CAG was performed equally in all groups but was significantly associated with reduced mortality in SCAI grade D only (OR 0.26 [CI 0.08–0.91], p = .036).

Conclusions

Increasing SCAI shock grade after OOHCA is associated with 30‐day mortality, requirement for renal replacement therapy and mortality attributed to multiorgan dysfunction syndrome and cardiac etiology death.
Mid‐ to long‐term clinical and echocardiographic outcomes after transcatheter aortic valve replacement with a new‐generation, self‐expandable system
Authors: Siqueira Dimytri A. , Simonato Matheus , Ramos Auristela A. , Bignoto Tiago , Le Bihan David , Barreto Rodrigo B. M. , Senra Tiago , Pinto Ibraim M. , Kambara Antonio M. , Santos Magaly A. , Viana Renata , Sousa Amanda G. M. R. , Abizaid Alexandre A. C.
Published: May 2020

Objectives

The aim of the study was to evaluate mid‐ to late clinical and echocardiographic outcomes after transcatheter aortic valve replacement (TAVR) with Acurate neo™ (Boston Scientific, Boston, MA).

Background

TAVR is an established treatment for aortic stenosis (AS). Few data exist on mid‐ to long‐term outcomes and durability after new‐generation valves.

Methods

All consecutive patients (n = 104) who underwent Acurate neo™ implantation from 2012 to 2018 were included. Follow‐up was systematically performed at 1, 6, 12, and 24 months and yearly thereafter. Outcomes were reported according to VARC‐2, and structural valve deterioration (SVD) or bioprosthetic valve failure defined accordingly to new definitions.

Results

Mean age was 82 ± 5.4 years, 56.7% were female and the Society of Thoracic Surgeons score for mortality was 5.9 ± 4%. Patients were followed for a median of 3 years (1,092 days; IQR 1.5–4 years), and the maximum follow‐up was 7 years. All‐cause mortality values at 1 and 5 years were 8.5% and 40.5%, respectively. No relevant changes in mean gradient and orifice area occurred (7.9 ± 3.8 mmHg and 1.9 ± 0.3 cm2 at 1 year; 6.6 ± 2.1 mmHg and 1.8 ± 0.3 cm2 at 5 years), and there was a significant rate of paravalvular leaks resolution at 1, 2, and 3 years (p = .004; p < .001; p < .001, respectively). None of the patients had leaflet thrombosis or endocarditis. One patient developed SVD at 84 months.

Conclusions

Acurate neo™ was associated with sustained echocardiographic results. Reassuring mid‐ to long‐term outcomes was observed in this cohort of elderly patients with severe AS.
First‐principle calculation of distorted T‐carbon as a promising anode for Li‐ion batteries with enhanced capacity, reversibility, and ion migration properties
Authors: Feng Jianrui , Yang Chao , Zhang Lijie , Lai Feili , Du Lei , Yang Xiaohua
Published: May 2020

Carbon group element‐based materials are the most widely used anode materials for Li‐ion batteries (LIBs). However, their performance is limited by the low capacity (eg, graphite) or high‐volume changes (eg, Si and Sn). Therefore, exploring high‐performance anode materials is quite appealing and promising. By first‐principle calculations in this study, we found that distorted T‐carbon (DTC) as a desired LIB anode shows properties of the enhanced capacity, decreased volume change, and the increased ion migration. The origin of such improved properties is attributed to the interconnected tunnels and large cavities of the carbon skeleton. The theoretical specific capacity of DTC is found to be 558 mAh/g, which is 1.5 times higher than that of commercial graphite anodes. Interestingly, the volume change of the DTC anode is only 3% at the full‐lithiation state (one‐fifth of that of the commercial graphite anode), which can overcome the pulverization problem in most high‐capacity anode materials and attain a longer cycling lifetime. Both transition state calculations and molecular dynamics simulations demonstrate that the Li‐ion migration barrier is less than 0.1 eV and the Li‐ion vacancy is only 0.2 eV, enabling its promising rate performance. This study provides a new and effective strategy to improve the anode properties of LIBs.
Rapid On‐Chip Synthesis of Complex Glycomimetics from N‐Glycan Scaffolds for Improved Lectin Targeting
Authors: Cioce Anna , Thépaut Michel , Fieschi Franck , Reichardt Niels‐Christian
Published: May 2020

C‐type lectin receptor (CLR) carbohydrate binding proteins found on immune cells with important functions in pathogen recognition as well as self and non‐self‐differentiation are increasingly moving into the focus of drug developers as targets for the immune therapy of cancer autoimmune diseases and inflammation and to improve the efficacy of vaccines. The development of molecules with increased affinity and selectivity over the natural glycan binders has largely focused on the synthesis of mono and disaccharide mimetics but glycan array binding experiments have shown increased binding selectivity and affinity for selected larger oligosaccharides that are able to engage in additional favorable interactions beyond the primary binding site. Here, a platform for the rapid preparation and screening of N‐glycan mimetics on microarrays is presented that turns a panel of complex glycan core structures into structurally diverse glycomimetics by a combination of enzymatic glycosylation with a nonnatural donor and subsequent cycloaddition with a collection of alkynes. All surface‐based reactions were monitored by MALDI‐TOF MS to assess conversion and purity of spot compositions. Screening the collection of 374 N‐glycomimetics against the plant lectin WFA and the 2 human immune lectins MGL ECD and Langerin ECD produced a number of high affinity binders as lead structures for more selective lectin targeting probes.
Tuning the Outcome of Enzyme‐Mediated Dynamic Cyclodextrin Libraries to Enhance Template Effects
Authors: Larsen Dennis , Beeren Sophie R.
Published: May 2020

Enzyme‐mediated dynamic combinatorial chemistry combines the concept of thermodynamically controlled covalent self‐assembly with the inherent biological relevance of enzymatic transformations. A system of interconverting cyclodextrins has been explored, in which the glycosidic linkage is rendered dynamic by the action of cyclodextrin glucanotransferase (CGTase). External factors, such as pH, temperature, solvent, and salinity are reported to modulate the composition of the dynamic cyclodextrin library. Dynamic libraries of cyclodextrins (CDs) could be obtained in wide ranges of pH (5.0–9.0), temperature (5–37 °C), and salinity (up to 7.5 m NaNO3), and with high organic solvent content (50 % by volume of ethanol), showing that enzyme‐mediated dynamic systems can be robust and not limited to physiological conditions. Furthermore, it is demonstrated how strategic choice of reaction conditions can enhance template effects, in this case, to achieve highly selective production of α‐CD, an otherwise challenging target due to competition from the structurally similar β‐CD.
Hyperkalemia in heart failure: Foe or friend?
Authors: Rakisheva Amina , Marketou Maria , Klimenko Anna , Troyanova‐Shchutskaia Tatyana , Vardas Panos
Published: May 2020

Hyperkalemia is a frequent and sometimes life‐threatening condition that may be associated with arrhythmia and cardiac dysfunction in patients with heart failure (HF). High potassium levels in HF represent both a direct risk for cardiovascular complication and an indirect biomarker of the severity of the underlying disease, reflecting neurohormonal activation and renal dysfunction. Evaluating the prevalence and significance of hyperkalemia in HF patients is essential for optimizing the use of potassium sparing agents, such the renin–angiotensin–aldosterone system inhibitors (RAASi) or angiotensin receptor‐neprilysin inhibitors and mineralocorticoid receptor antagonists, which represent a well‐established cornerstone and life‐saving therapy. In this review we discuss recent findings and current concepts related to the epidemiology, pathological mechanisms and implications of hyperkalemia, as well as novel therapeutic approaches to counteract it in patients with HF. The balance between optimizing life‐saving potassium sparing medication and minimizing hyperkalemia‐associated risk is much needed in patients with HF. Although older potassium‐binding agents are associated with serious adverse events, novel potassium‐binding drugs are effective in lowering potassium levels and are generally well tolerated. Novel potassium‐binding drugs, such as patiromer and sodium zirconium cyclosilicate, may help to optimize therapy in HF and achieve guideline‐recommended doses. Hyperkalemia is common in HF patients and is associated with a poorer prognosis and an increased risk of cardiovascular complications: Contrariwise, “moderate” potassium levels go with a better prognosis, while the emergence of new drugs, potassium binders, could allow target doses of RAASi to be achieved.
Genetic Code Expansion Facilitates Position‐Selective Modification of Nucleic Acids and Proteins
Authors: Müller Diana , Trucks Sven , Schwalbe Harald , Hengesbach Martin
Published: May 2020

Transcription and translation obey to the genetic code of four nucleobases and 21 amino acids evolved over billions of years. Both these processes have been engineered to facilitate the use of non‐natural building blocks in both nucleic acids and proteins, enabling researchers with a decent toolbox for structural and functional analyses. Here, we review the most common approaches for how labeling of both nucleic acids as well as proteins in a site‐selective fashion with either modifiable building blocks or spectroscopic probes can be facilitated by genetic code expansion. We emphasize methodological approaches and how these can be adapted for specific modifications, both during as well as after biomolecule synthesis. These modifications can facilitate, for example, a number of different spectroscopic analysis techniques and can under specific circumstances even be used in combination.
Addition of Highly Polarized Organometallic Compounds to N‐tert‐Butanesulfinyl Imines in Deep Eutectic Solvents under Air: Preparation of Chiral Amines of Pharmaceutical Interest
Authors: Cicco Luciana , Salomone Antonio , Vitale Paola , Ríos‐Lombardía Nicolás , González‐Sabín Javier , García‐Álvarez Joaquín , Perna Filippo M. , Capriati Vito
Published: May 2020

Highly polarized organometallic compounds of s‐block elements are added smoothly to chiral N‐tert‐butanesulfinyl imines in the biodegradable d‐sorbitol/choline chloride eutectic mixture, thereby granting access to enantioenriched primary amines after quantitatively removing the sulfinyl group. The practicality of the method is further highlighted by proceeding at ambient temperature and under air, with very short reaction times (2 min), enabling the preparation of diastereoisomeric sulfinamides in very good yields (74–98 %) and with a broad substrate scope, and the possibility of scaling up the process. The method is demonstrated in the asymmetric syntheses of both the chiral amine side‐chain of (R,R)‐Formoterol (96 % ee) and the pharmaceutically relevant (R)‐Cinacalcet (98 % ee).
Prenatal maternal C‐reactive protein prospectively predicts child executive functioning at ages 4–6 years
Authors: Morgan Julia E. , Lee Steve S. , Mahrer Nicole E. , Guardino Christine M. , Davis Elysia Poggi , Shalowitz Madeleine U. , Ramey Sharon L. , Dunkel Schetter Christine
Published: May 2020

This prospective longitudinal study evaluated multiple maternal biomarkers from the preconception and prenatal periods as time‐sensitive predictors of child executive functioning (EF) in 100 mother–child dyads. Maternal glycated hemoglobin (HbA1C), C‐reactive protein (CRP), and blood pressure (BP) were assayed before pregnancy and during the second and third trimesters. Subsequently, children were followed from birth and assessed for EF (i.e. cognitive flexibility, response inhibition) at ages 4–6 years. Perinatal data were also extracted from neonatal records. Higher maternal CRP, but not maternal HbA1C or BP, uniquely predicted poorer child cognitive flexibility, even with control of maternal HbA1C and BP, relevant demographic factors, and multiple prenatal/perinatal covariates (i.e. preconception maternal body mass index, maternal depression, maternal age at birth, child birth weight, child birth order, child gestational age, and child birth/neonatal complications). Predictions from maternal CRP were specific to the third trimester, and third trimester maternal CRP robustly predicted child cognitive flexibility independently of preconception and second trimester CRP. Child response inhibition was unrelated to maternal biomarkers from all time points. These findings provide novel, prospective evidence that maternal inflammation uniquely predicts child cognitive flexibility deficits, and that these associations depend on the timing of exposure before or during pregnancy.
A performance score of the quality of inpatient diabetes care is a marker of clinical outcomes and suggests a cause‐effect relationship between hypoglycaemia and the risk of in‐hospital mortality
Authors: Dei Cas Alessandra , Aldigeri Raffaella , Ridolfi Valentina , Vazzana Angela , Ciardullo Anna Vittoria , Manicardi Valeria , Sforza Alessandra , Tomasi Franco , Zavaroni Donatella , Zavaroni Ivana , Bonadonna Riccardo C.
Published: May 2020

Aims

To build a tool to assess the management of inpatients with diabetes mellitus and to investigate its relationship, if any, with clinical outcomes.

Materials and methods

A total of 678 patients from different settings, Internal Medicine (IMU, n = 255), General Surgery (GSU, n = 230) and Intensive Care (ICU, n = 193) Units, were enrolled. A work‐flow of clinical care of diabetes was created according to guidelines. The workflow was divided into five different domains: (a) initial assessment; (b) glucose monitoring; (c) medical therapy; (d) consultancies; (e) discharge. Each domain was assessed by a performance score (PS), computed as the sum of the scores achieved in a set of indicators of clinical appropriateness, management and patient empowerment. Appropriate glucose goals were included as intermediate phenotypes. Clinical outcomes included: hypoglycaemia, survival rate and clinical conditions at discharge.

Results

The total PS and those of initial assessment and glucose monitoring were significantly lower in GSU with respect to IMU and ICU (P < .0001). The glucose monitoring PS was associated with lower risk of hypoglycaemia (OR = 0.55; P < .0001), whereas both the PSs of glucose monitoring and medical therapy resulted associated with higher in‐hospital survival only in the IMU ward (OR = 6.67 P = .001 and OR = 2.38 P = .03, respectively). Instrumental variable analysis with the aid of PS of glucose monitoring showed that hypoglycaemia may play a causal role in in‐hospital mortality (P = .04).

Conclusions

The quality of in‐hospital care of diabetes may affect patient outcomes, including glucose control and the risk of hypoglycaemia, and through the latter it may influence the risk of in‐hospital mortality.
Improving blood glucose level predictability using machine learning
Authors: Marcus Yonit , Eldor Roy , Yaron Mariana , Shaklai Sigal , Ish‐Shalom Maya , Shefer Gabi , Stern Naftali , Golan Nehor , Dvir Amit Z. , Pele Ofir , Gonen Mira
Published: May 2020

This study was designed to improve blood glucose level predictability and future hypoglycemic and hyperglycemic event alerts through a novel patient‐specific supervised‐machine‐learning (SML) analysis of glucose level based on a continuous‐glucose‐monitoring system (CGM) that needs no human intervention, and minimises false‐positive alerts. The CGM data over 7 to 50 non‐consecutive days from 11 type‐1 diabetic patients aged 18 to 39 with a mean HbA1C of 7.5% ± 1.2% were analysed using four SML models. The algorithm was constructed to choose the best‐fit model for each patient. Several statistical parameters were calculated to aggregate the magnitudes of the prediction errors. The personalised solutions provided by the algorithm were effective in predicting glucose levels 30 minutes after the last measurement. The average root‐mean‐square‐error was 20.48 mg/dL and the average absolute‐mean‐error was 15.36 mg/dL when the best‐fit model was selected for each patient. Using the best‐fit‐model, the true‐positive‐hypoglycemia‐prediction‐rate was 64%, whereas the false‐positive‐ rate was 4.0%, and the false‐negative‐rate was 0.015%. Similar results were found even when only CGM samples below 70 were considered. The true‐positive‐hyperglycemia‐prediction‐rate was 61%. State‐of‐the‐art SML tools are effective in predicting the glucose level values of patients with type‐1diabetes and notifying these patients of future hypoglycemic and hyperglycemic events, thus improving glycemic control. The algorithm can be used to improve the calculation of the basal insulin rate and bolus insulin, and suitable for a closed loop “artificial pancreas” system. The algorithm provides a personalised medical solution that can successfully identify the best‐fit method for each patient.
Assessing congruence of opportunistic records and systematic surveys for predicting Hispaniolan mammal species distributions
Authors: Turvey Samuel T. , Kennerley Rosalind J. , Hudson Michael A. , Nuñez‐Miño Jose M. , Young Richard P.
Published: May 2020

Comparative assessment of the relative information content of different independent spatial data types is necessary to evaluate whether they provide congruent biogeographic signals for predicting species ranges. Opportunistic occurrence records and systematically collected survey data are available from the Dominican Republic for Hispaniola’s surviving endemic non‐volant mammals, the Hispaniolan solenodon (Solenodon paradoxus) and Hispaniolan hutia (Plagiodontia aedium); opportunistic records (archaeological, historical and recent) exist from across the entire country, and systematic survey data have been collected from seven protected areas. Species distribution models were developed in maxent for solenodons and hutias using both data types, with species habitat suitability and potential country‐level distribution predicted using seven biotic and abiotic environmental variables. Three different models were produced and compared for each species: (a) opportunistic model, with starting model incorporating abiotic‐only predictors; (b) total survey model, with starting model incorporating biotic and abiotic predictors; and (c) reduced survey model, with starting model incorporating abiotic‐only predictors to allow further comparison with the opportunistic model. All models predict suitable environmental conditions for both solenodons and hutias across a broadly congruent, relatively large area of the Dominican Republic, providing a spatial baseline of conservation‐priority landscapes that might support native mammals. Correlation between total and reduced survey models is high for both species, indicating the substantial explanatory power of abiotic variables for predicting Hispaniolan mammal distributions. However, correlation between survey models and opportunistic models is only moderately positive. Species distribution models derived from different data types can provide different predictions about habitat suitability and conservation‐priority landscapes for threatened species, likely reflecting incompleteness and bias in spatial sampling associated with both data types. Models derived using both opportunistic and systematic data must therefore be applied critically and cautiously.
A nucleation framework for transition between alternate states: short‐circuiting barriers to ecosystem recovery
Authors: Michaels Theo K. , Eppinga Maarten B. , Bever James D.
Published: May 2020

The theory of alternate stable states provides an explanation for rapid ecosystem degradation, yielding important implications for ecosystem conservation and restoration. However, utilizing this theory to initiate transitions from degraded to desired ecosystem states remains a significant challenge. Applications of the alternative stable states framework may currently be impeded by a mismatch between local‐scale driving processes and landscape‐scale emergent system transitions. We show how nucleation theory provides an elegant bridge between local‐scale positive feedback mechanisms and landscape‐scale transitions between alternate stable ecosystem states. Geometrical principles can be used to derive a critical patch radius: a spatially explicit, local description of an unstable equilibrium point. This insight can be used to derive an optimal patch size that minimizes the cost of restoration, and to provide a framework to measure the resilience of desired ecosystem states to the synergistic effects of disturbance and environmental change.
Estimation method of photovoltaic power output using extended Lambert‐Beer law
Authors: Odashima Jun , Shinoda Yukio , Takeda Hisashi
Published: May 2020

In recent years, there have been growing needs for accurate estimation of photovoltaic (PV) power due to the widespread use of PV power generation. PV power is usually estimated based on the amount of solar radiation, air temperature, and wind velocity. However, when the PV panel is covered with snow, the solar radiation is blocked by the snow and expected PV output cannot be obtained. In this paper, for accurate PV power estimation, we propose an Extended Lambert‐Beer law, and investigate a method to estimate the degree of attenuation of PV power by snow cover. And, accuracy verification of the proposed method is carried out with actual PV power records from when snow accumulated in the Tokyo Electric Power Company (TEPCO) service area in 2018.