bluuebunny/crossref_metadata_2025 huggingface dataset:
The N-terminal Acetylation of α-Synuclein Changes the Affinity for Lipid Membranes but not the Structural Properties of the Bound State
Authors: Runfola Matteo , De Simone Alfonso , Vendruscolo Michele , Dobson Christopher M. , Fusco Giuliana
Published: January 2020

The aggregation of α-synuclein (αS), a protein abundant at presynaptic terminals, is associated with a range of highly debilitating neurodegenerative conditions, including Parkinson’s disease (PD), dementia with Lewy bodies (DLB) and multiple system atrophy (MSA). Emerging evidence indicates that the interaction of αS with lipid membranes defines both its physiological function and pathological effects. The characterisation of the modes of membrane binding by αS is therefore crucial to clarify the balance between normal and aberrant behaviour of this protein. Here we used solid-state nuclear magnetic resonance (ssNMR) spectroscopy to probe the nature of the N-terminally acetylated form of αS (NTAc-αS) bound to synaptic-like lipid vesicles. This post-translational modification is prevalent for the physiological form of αS and modulates the binding to lipid bilayers. By probing the structure, dynamics and membrane topology of NTAc-αS, we found that N-terminal acetylation does not alter significantly the conformational and topological properties of the membrane-bound state of αS, despite increasing its propensity for binding. Taken together, our data and previous characterisations of the cytosolic state of NTAc-αS clarify that the role of the N-terminal acetylation is to regulate the binding affinity of αS for synaptic vesicles without altering the structural properties of the bound state.
Morphofunctional analysis of the retina in patients with type 1 diabetes without complications after 30 years of disease
Authors: Sacconi Riccardo , Lamanna Francesca , Borrelli Enrico , Mulinacci Giacomo , Casaluci Marco , Gelormini Francesco , Carnevali Adriano , Querques Lea , Zerbini Gianpaolo , Bandello Francesco , Querques Giuseppe
Published: January 2020

There is a lack of studies evaluating the sub-clinical retinal changes in patients with long-term type 1 diabetes mellitus (T1DM) and without history of systemic/ocular complications. The aim of this cross-sectional study was to investigate sub-clinical structural and/or vascular retinal changes in patients with long-term (≥30 years) T1DM and without systemic/ocular complications (“happy few” patients) using structural optical coherence tomography (OCT), OCT-angiography and microperimetry. Twelve eyes of 12 consecutive T1DM patients (mean age 52 ± 12 years, mean duration of disease 35 ± 3 years, mean HbA1c level 7.3 ± 2.8%), without micro/macrovascular complications associated with long-standing T1DM, and twelve healthy subjects were consecutively included. No statistically significant differences were disclosed comparing patients and controls for age, sex, best-corrected visual acuity, central macular thickness, and choroidal thickness. Using OCT-angiography, we did not find any significant difference in foveal avascular zone area, perfusion density, vessel length density, and tortuosity. Moreover, no significant differences were disclosed in retinal nerve fiber layer and ganglion cell complex thickness using structural OCT. No differences were disclosed in retinal sensitivity by microperimetry. New diagnostic tools are able to confirm the presence of a particular population of patients with type 1 diabetes who have been completely spared from diabetic retinal complications. The finding of these “happy few” patients could help us to better understand and target future treatments for diabetes.
Exploring the Novel Susceptibility Gene Variants for Primary Open-Angle Glaucoma in East Asian Cohorts: The GLAU-GENDISK Study
Authors: Kim Yong Woo , Kim Yu Jeong , Cheong Hyun Sub , Shiga Yukihiro , Hashimoto Kazuki , Song Yong Ju , Kim Seok Hwan , Choi Hyuk Jin , Nishiguchi Koji M. , Kawai Yosuke , Nagasaki Masao , Nakazawa Toru , Park Ki Ho , Kim Dong Myung , Jeoung Jin Wook
Published: January 2020

Primary open-angle glaucoma (POAG) can develop even within normal ranges of intraocular pressure, and this type of glaucoma (so-called ‘normal-tension glaucoma [NTG]’) is highly prevalent in East Asia including Korea and Japan. We conducted exome chip analysis to identify low-frequency and rare variants associated with POAG from the primary cohort (309 POAG patients and 5,400 control, all Koreans). For replication, Korean (310 POAG patients and 5,612 controls) and Japanese (565 POAG patients and 1,104 controls) cohorts were further investigated by targeted genotyping. SNP rs116121322 in LRRC27 showed nominally significant association with POAG in the discovery cohort (OR = 29.85, P = 2E–06). This SNP was validated in the Korean replication cohort but only in the NTG subgroups (OR = 9.86, P = 0.007). Japanese replication cohort did not show significant association with POAG (P .00.44). However, the meta-analysis in the entire cohort revealed significant association of rs116121322 with POAG (ORcombined = 10.28, Pcombined = 1.4E–07). The LRRC27 protein expression was confirmed from human trabecular meshwork cells. For gene-based testing, METTL20 showed a significant association in POAG (Pcombined = 0.002) and in the subgroup of NTG (Pcombined = 0.02), whereas ZNF677 were significantly associated with only in the subgroup of high-tension glaucoma (Pcombined = 1.5E–06). Our findings may provide further genetic backgrounds into the pathogenesis of POAG, especially for the patients who have lower baseline intraocular pressures.
Surface plasmon enhanced Organic color image sensor with Ag nanoparticles coated with silicon oxynitride
Authors: Heo Sung , Lee Jooho , Lee Gae Hwang , Heo Chul-Joon , Kim Seong Heon , Yun Dong-Jin , Park Jong-Bong , Kim Kihong , Kim Yongsung , Lee Dongwook , Park Gyeong-Su , Cho Hoon Young , Shin Taeho , Yun Sung Young , Kim Sunghan , Jin Yong Wan , Park Kyung-Bae
Published: January 2020

As organic photodetectors with less than 1 μm pixel size are in demand, a new way of enhancing the sensitivity of the photodetectors is required to compensate for its degradation due to the reduction in pixel size. Here, we used Ag nanoparticles coated with SiOxNy as a light-absorbing layer to realize the scale-down of the pixel size without the loss of sensitivity. The surface plasmon resonance appeared at the interface between Ag nanoparticles and SiOxNy. The plasmon resonance endowed the organic photodetector with boosted photon absorption and external quantum efficiency. As the Ag nanoparticles with SiOxNy are easily deposited on ITO/SiO2, it can be adapted into various organic color image sensors. The plasmon-supported organic photodetector is a promising solution for realizing color image sensors with high resolution below 1 μm.
Circulating miR-141 and miR-375 are associated with treatment outcome in metastatic castration resistant prostate cancer
Authors: Zedan A. H. , Osther P. J. S. , Assenholt J. , Madsen J. S. , Hansen T. F.
Published: January 2020

Metastatic castration resistant prostate cancer (mCRPC) is associated with high mortality, where monitoring of disease activity is still a major clinical challenge. The role of microRNAs (miRs) has been widely investigated in prostate cancer with both diagnostic and prognostic potential. The aim of this study was to investigate the relationship between circulating miRs and treatment outcome in mCRPC patients. The relative expression of five miRs (miR-93-5p, -125b-1-5p, -141-3p, -221-3p, and miR-375-3p) was investigated in plasma samples from 84 mCRPC patients; 40 patients were treated with docetaxel (DOC cohort) and 44 patients with abiraterone (ABI cohort). Blood was sampled at baseline before treatment start and at radiological progression. The plasma levels of four miRs; miR-93-5p, -141-3p, -221-3p, and miR-375-3p decreased significantly after treatment initiation in patients receiving docetaxel, and for miR-141-3p and miR-375-3p the level increased again at the time of radiological progression. In the patients treated with abiraterone, the plasma level of miR-221-3p likewise decreased significantly after the first treatment cycle. High baseline levels of both miR-141-3p and miR-375-3p were significantly associated with a shorter time to radiological progression in both cohorts. Additionally, high baseline levels of miR-141-3p and miR-221-3p were significantly associated with a shorter overall survival (OS) in the ABI cohort, while high levels of miR-141-3p and miR-375-3p were significantly associated with shorter OS in the DOC cohort. Plasma levels of miR-141-3p and miR-375-3p may predict time to progression in mCRPC patients treated with docetaxel or abiraterone. The clinical impact of these findings is dependent on validation in larger cohorts.
Association of STarT Back Tool and the short form of the Örebro Musculoskeletal Pain Screening Questionnaire with multidimensional risk factors
Authors: Simula Anna Sofia , Ruokolainen Olli , Oura Petteri , Lausmaa Mikko , Holopainen Riikka , Paukkunen Maija , Auvinen Juha , Linton Steven J. , Hill Jonathan C. , Karppinen Jaro
Published: January 2020

The Short form of the Örebro Musculoskeletal Pain Screening Questionnaire (ÖMPSQ-short) and the STarT Back Tool (SBT) have been developed to screen for risk factors for future low back pain (LBP) -related disability and work loss respectively. The aim of this study was to investigate the accordance of the two questionnaires and to evaluate the accumulation of risk factors in the risk groups of both screening tools in a large population-based sample. The study population consisted of 3079 participants of the Northern Finland Birth Cohort 1966 who had reported LBP over the previous 12 months and had SBT and ÖMPSQ-short data. We evaluated the association of depressive and anxiety symptoms (Hopkins symptom check list-25, Generalized anxiety disorder 7 questionnaire, and Beck’s Depression Inventory 21), psychological features (Fear-Avoidance Beliefs Questionnaire), lifestyle characteristics (BMI, smoking, alcohol abuse, physical inactivity) and social factors (education level) with the SBT and ÖMPSQ-short risk groups. The high-risk groups of both questionnaires were associated (p < 0.001) with depressive and anxiety symptoms and fear-avoidance beliefs. In addition, adverse lifestyle factors accumulated in the higher risk groups, especially from the ÖMPSQ-short. Agreement between the two questionnaires was moderate for men and fair for women.
Implementation of Complementary Model using Optimal Combination of Hematological Parameters for Sepsis Screening in Patients with Fever
Authors: Choi Jang-Sik , Trinh Tung X. , Ha Jihye , Yang Mi-Sook , Lee Yangsoon , Kim Yeoung-Eun , Choi Jungsoon , Byun Hyung-Gi , Song Jaewoo , Yoon Tae-Hyun
Published: January 2020

The early detection and timely treatment are the most important factors for improving the outcome of patients with sepsis. Sepsis-related clinical score, such as SIRS, SOFA and LODS, were defined to identify patients with suspected infection and to predict severity and mortality. A few hematological parameters associated with organ dysfunction and infection were included in the score although various clinical pathology parameters (hematology, serum chemistry and plasma coagulation) in blood sample have been found to be associated with outcome in patients with sepsis. The investigation of the parameters facilitates the implementation of a complementary model for screening sepsis to existing sepsis clinical criteria and other laboratory signs. In this study, statistical analysis on the multiple clinical pathology parameters obtained from two groups, patients with sepsis and patients with fever, was performed and the complementary model was elaborated by stepwise parameter selection and machine learning. The complementary model showed statistically better performance (AUC 0.86 vs. 0.74–0.51) than models built up with specific hematology parameters involved in each existing sepsis-related clinical score. Our study presents the complementary model based on the optimal combination of hematological parameters for sepsis screening in patients with fever.
Transcriptional analysis identifies potential biomarkers and molecular regulators in pneumonia and COPD exacerbation
Authors: Bertrams Wilhelm , Griss Kathrin , Han Maria , Seidel Kerstin , Klemmer Andreas , Sittka-Stark Alexandra , Hippenstiel Stefan , Suttorp Norbert , Finkernagel Florian , Wilhelm Jochen , Greulich Timm , Vogelmeier Claus F. , Vera Julio , Schmeck Bernd
Published: January 2020

Lower respiratory infections, such as community-acquired pneumonia (CAP), and chronic obstructive pulmonary disease (COPD) rank among the most frequent causes of death worldwide. Improved diagnostics and profound pathophysiological insights are urgent clinical needs. In our cohort, we analysed transcriptional networks of peripheral blood mononuclear cells (PBMCs) to identify central regulators and potential biomarkers. We investigated the mRNA- and miRNA-transcriptome of PBMCs of healthy subjects and patients suffering from CAP or AECOPD by microarray and Taqman Low Density Array. Genes that correlated with PBMC composition were eliminated, and remaining differentially expressed genes were grouped into modules. One selected module (120 genes) was particularly suitable to discriminate AECOPD and CAP and most notably contained a subset of five biologically relevant mRNAs that differentiated between CAP and AECOPD with an AUC of 86.1%. Likewise, we identified several microRNAs, e.g. miR-545-3p and miR-519c-3p, which separated AECOPD and CAP. We furthermore retrieved an integrated network of differentially regulated mRNAs and microRNAs and identified HNF4A, MCC and MUC1 as central network regulators or most important discriminatory markers. In summary, transcriptional analysis retrieved potential biomarkers and central molecular features of CAP and AECOPD.
Passive water ascent in a tall, scalable synthetic tree
Authors: Shi Weiwei , Dalrymple Richard M. , McKenny Collin J. , Morrow David S. , Rashed Ziad T. , Surinach Daniel A. , Boreyko Jonathan B.
Published: January 2020

The transpiration cycle in trees is powered by a negative water potential generated within the leaves, which pumps water up a dense array of xylem conduits. Synthetic trees can mimic this transpiration cycle, but have been confined to pumping water across a single microcapillary or microfluidic channels. Here, we fabricated tall synthetic trees where water ascends up an array of large diameter conduits, to enable transpiration at the same macroscopic scale as natural trees. An array of 19 tubes of millimetric diameter were embedded inside of a nanoporous ceramic disk on one end, while their free end was submerged in a water reservoir. After saturating the synthetic tree by boiling it underwater, water can flow continuously up the tubes even when the ceramic disk was elevated over 3 m above the reservoir. A theory is developed to reveal two distinct modes of transpiration: an evaporation-limited regime and a flow-limited regime.
Identification of housekeeping genes for microRNA expression analysis in kidney tissues of Pkd1 deficient mouse models
Authors: Muñoz J. J. , Anauate A. C. , Amaral A. G. , Ferreira F. M. , Meca R. , Ormanji M. S. , Boim M. A. , Onuchic L. F. , Heilberg I. P.
Published: January 2020

Polycystic kidney disease is a complex clinical entity which comprises a group of genetic diseases that leads to renal cyst development. We evaluated the most suitable housekeeping genes for microRNA expression by RT-qPCR analyses of kidney tissues in Pkd1-deficient mouse models from a panel of five candidates genes (miR-20a, miR-25, miR-26a, miR-191 and U6) and 3 target genes (miR-17, miR-21 and let-7a) using samples from kidneys of cystic mice (Pkd1flox/flox:Nestincre, CY), non-cystic controls (Pkd1flox/flox, NC), Pkd1-haploinsufficient (Pkd1+/−, HT), wild-type controls (Pkd1+/+, WT), severely cystic mice (Pkd1V/V, SC), wild-type controls (CO). The stability of the candidate genes was investigated using NormFinder, GeNorm, BestKeeper, DataAssist, and RefFinder software packages and the comparative ΔCt method. The analyses identified miR-26a as the most stable housekeeping gene for all kidney samples, miR-20a for CY and NC, miR-20a and miR-26a for HT and WT, and miR-25 and miR-26a for SC and CO. Expression of miR-21 was upregulated in SC compared to CO and trends of miR-21 upregulation and let-7a downregulation in CY and HT compared to its control kidneys, when normalized by different combinations of miR-20a, miR-25 and miR-26a. Our findings established miR-20a, miR-25, and miR-26a as the best housekeeping genes for miRNA expression analyses by RT-qPCR in kidney tissues of Pkd1-deficient mouse models.
Quantum control and characterization of ultrafast ionization with orthogonal two-color laser pulses
Authors: Agueny Hicham
Published: January 2020

We study ultrafast ionization dynamics using orthogonally polarized two-color (OTC) laser pulses involving the resonant “first plus second” (ω + 2ω) scheme. The scheme is illustrated by numerical simulations of the time-dependent Schrödinger equation and recording the photoelectron momentum distribution. On the basis of the simulations of this resonant ionization, we identify signatures of the dynamic Autler-Townes effect and dynamic interference, in which their characterization is not possible in the spectral domain. Taking advantage of the OTC scheme we show that these dynamical effects, which occur at the same time scale, can be characterized in momentum space by controlling the spatial quantum interference. In particular, we show that with the use of this control scheme, one can tailor the properties of the control pulse to lead to enhancement of the ionization rate through the Autler-Townes effect without affecting the dynamic interference. This enhancement is shown to result from constructive interferences between partial photoelectron waves having opposite-parity, and found to manifest by symmetry-breaking of the momentum distribution. The scenario is investigated for a prototype of a hydrogen atom and is broadly applicable to other systems. Our findings may have applications for photoelectron interferometers to control the electron dynamics in time and space, and for accurate temporal characterization of attosecond pulses.
Comparisons of between-group differentiation in male kinship between bonobos and chimpanzees
Authors: Ishizuka Shintaro , Takemoto Hiroyuki , Sakamaki Tetsuya , Tokuyama Nahoko , Toda Kazuya , Hashimoto Chie , Furuichi Takeshi
Published: January 2020

Patterns of kinship among individuals in different groups have been rarely examined in animals. Two closest living relatives of humans, bonobos and chimpanzees share many characteristics of social systems including male philopatry, whereas one major difference between the two species is the nature of intergroup relationship. Intergroup relationship is basically antagonistic and males sometimes kill individuals of other groups in chimpanzees, whereas it is much more moderate in bonobos and copulations between individuals of different groups are often observed during intergroup encounters. Such behavioural differences may facilitate more frequent between-group male gene flow and greater between-group differentiation in male kinship in bonobos than in chimpanzees. Here we compared differences between average relatedness among males within groups and that among males of neighbouring groups, and between-group male genetic distance between bonobos and chimpanzees. Contrary to expectation, the differences between average relatedness among males within groups and that among males of neighbouring groups were significantly greater in bonobos than in chimpanzees. There were no significant differences in autosomal and Y-chromosomal between-group male genetic distance between the two species. Our results showed that intergroup male kinship is similarly or more differentiated in bonobos than in chimpanzees.
Metal–organic framework–derived Ni@C and NiO@C as anode catalysts for urea fuel cells
Authors: Tran Thao Quynh Ngan , Park Bang Ju , Yun Woo Hyun , Duong Tien Nhac , Yoon Hyon Hee
Published: January 2020

Highly porous self-assembled nanostructured Ni@C and NiO@C were synthesized via calcination of a Ni-based metal–organic framework. The morphology, structure, and composition of as synthesized Ni@C and NiO@C were characterized by SEM, FIB-SEM, TEM, and XRD. The electro-catalytic activity of the Ni@C and NiO@C catalysts towards urea oxidation was investigated using cyclic voltammetry. It was found that the Ni@C had a higher residual carbon content and a higher specific surface area than NiO@C, thus exhibiting an enhanced electrochemical performance for urea oxidation. A direct urea fuel cell with Ni@C as an anode catalyst featured an excellent maximum power density of 13.8 mW cm−2 with 0.33 M urea solution in 1 M KOH as fuel and humidified air as oxidant at 50 °C, additionally showing excellent stability during continuous 20-h operation. Thus, this work showed that the highly porous carbon-supported Ni catalysts derived from Ni-based metal–organic framework can be used for urea oxidation and as an efficient anode material for urea fuel cells.
Computational data mining method for isotopomer analysis in the quantitative assessment of metabolic reprogramming
Authors: Matsuda Fumio , Maeda Kousuke , Okahashi Nobuyuki
Published: January 2020

Measurement of metabolic flux levels using stable isotope labeling has been successfully used to investigate metabolic redirection and reprogramming in living cells or tissues. The metabolic flux ratio between two reactions can be estimated from the 13C-labeling patterns of a few metabolites combined with the knowledge of atom mapping in the complicated metabolic network. However, it remains unclear whether an observed change in the labeling pattern of the metabolites is sufficient evidence of a shift in flux ratio between two metabolic states. In this study, a data analysis method was developed for the quantitative assessment of metabolic reprogramming. The Metropolis-Hastings algorithm was used with an in silico metabolic model to generate a probability distribution of metabolic flux levels under a condition in which the 13C-labeling pattern was observed. Reanalysis of literature data demonstrated that the developed method enables analysis of metabolic redirection using whole 13C-labeling pattern data. Quantitative assessment by Cohen’s effect size (d) enables a more detailed read-out of metabolic reprogramming information. The developed method will enable future applications of the metabolic isotopomer analysis to various targets, including cultured cells, whole tissues, and organs.
Extracellular Superoxide Dismutase Regulates Early Vascular Hyaluronan Remodeling in Hypoxic Pulmonary Hypertension
Authors: Tseng Victor , Ni Kevin , Allawzi Ayed , Prohaska Clare , Hernandez-Lagunas Laura , Elajaili Hanan , Cali Valbona , Midura Ronald , Hascall Vincent , Triggs-Raine Barbara , Petrache Irina , Hart C. Michael , Nozik-Grayck Eva
Published: January 2020

Chronic hypoxia leads to pathologic remodeling of the pulmonary vasculature and pulmonary hypertension (PH). The antioxidant enzyme extracellular superoxide dismutase (SOD3) protects against hypoxia-induced PH. Hyaluronan (HA), a ubiquitous glycosaminoglycan of the lung extracellular matrix, is rapidly recycled at sites of vessel injury and repair. We investigated the hypothesis that SOD3 preserves HA homeostasis by inhibiting oxidative and enzymatic hyaluronidase-mediated HA breakdown. In SOD3-deficient mice, hypoxia increased lung hyaluronidase expression and activity, hyaluronan fragmentation, and effacement of HA from the vessel wall of small pulmonary arteries. Hyaluronan fragmentation corresponded to hypoxic induction of the cell surface hyaluronidase-2 (Hyal2), which was localized in the vascular media. Human pulmonary artery smooth muscle cells (HPASMCs) demonstrated hypoxic induction of Hyal2 and SOD-suppressible hyaluronidase activity, congruent to our observations in vivo. Fragmentation of homeostatic high molecular weight HA promoted HPASMC proliferation in vitro, whereas pharmacologic inhibition of hyaluronidase activity prevented hypoxia- and oxidant-induced proliferation. Hypoxia initiates SOD3-dependent alterations in the structure and regulation of hyaluronan in the pulmonary vascular extracellular matrix. These changes occurred soon after hypoxia exposure, prior to appearance of PH, and may contribute to the early pathogenesis of this disease.
Comprehensive genetic diagnosis of Japanese patients with severe proteinuria
Authors: Nagano China , Yamamura Tomohiko , Horinouchi Tomoko , Aoto Yuya , Ishiko Shinya , Sakakibara Nana , Shima Yuko , Nakanishi Koichi , Nagase Hiroaki , Iijima Kazumoto , Nozu Kandai
Published: January 2020

Numerous disease-causing gene mutations have been identified in proteinuric diseases, such as nephrotic syndrome and glomerulosclerosis. This report describes the results of comprehensive genetic diagnosis of Japanese patients with severe proteinuria. In addition, the report describes the clinical characteristics of patients with monogenic disease-causing mutations. We conducted comprehensive gene screening of patients who had either congenital nephrotic syndrome, infantile nephrotic syndrome, steroid-resistant nephrotic syndrome, or focal segmental glomerular sclerosis. Using targeted next-generation sequencing, 60 podocyte-related genes were screened in 230 unrelated patients with proteinuria. A retrospective review of clinical data was conducted for these patients. We detected monogenic disease-causing mutations in 30% (69 of 230) of patients among 19 of the screened genes. Common genes with disease-causing mutations were WT1 (25%), NPHS1 (12%), INF2 (12%), TRPC6 (10%), and LAMB2 (9%). With various immunosuppressive or renoprotective therapies, remission of proteinuria in patients with unknown causative mutations was observed in 26% of patients, whereas only 5% of patients with monogenic disease-causing mutations exhibited complete remission. We assessed the genetic backgrounds of Japanese patients with severe proteinuria. The proportion of patients with gene defects was similar to that of other reports, but the disease-causing gene mutation frequency was considerably different.
Solid Sorbents as a Retrofit Technology for CO2 Removal from Natural Gas Under High Pressure and Temperature Conditions
Authors: Khraisheh Majeda , Almomani Fares , Walker Gavin
Published: January 2020

The capture of CO2 under high pressure and temperature is challenging and is required in a number for industrial applications including natural gas processing. In this work, we examine the use of benchmark hybrid ultraporous materials HUMs for their potential use in CO2 adsorption processes under high-pressure conditions, with three varying temperatures (283, 298 and 318 K). NbOFFOVE-1-Ni and SIFSIX-3-Ni were the selected HUMs given their established superior CO2 capacity under low pressure (0–1 bar). Both are microporous with highly ordered crystalline structures as compared to the mesoporous hexagonal silica (Santa Barbara Anhydrous-15 (SBA-15)). SBA-15 was previously tested for both low and high-pressure applications and can serve as a benchmark in this study. Sorbent characterization using XRD, SEM, FTIR and N2 adsorption were conducted to assure the purity and structure of the sorbents. TGA analysis were conducted to establish the thermal stability of the sorbents under various temperatures. High-pressure CO2 adsorption was conducted from 0–35 bar using magnetic suspension balance (Rubotherm). Although the SBA-15 had the highest surface (527 m3/g) are of the three adsorbents, the CO2 adsorption capacity (0.42 mmol/g) was an order of magnitude less than the studies HUMs with SIFSIX-3-Ni having 2.6 mmol/g, NbOFFIVE-1-Ni achieving 2.5 mmol/g at 298 K. Multistage adsorption isotherms were obtained at different pressures. In addition, results indicate that electrostatics in HUMs are most effective at improving isosteric heat of adsorption Qst and CO2 uptake. Higher temperatures had negative effect on adsorption capacity for the HUMs and SBA-15 at pressures between 7–9 bar. In SAB-15 the effect of temperature is reversed in what is known as a cross over phenomena.
The role of the dipole moment orientations in the crystallization tendency of the van der Waals liquids – molecular dynamics simulations
Authors: Koperwas Kajetan , Adrjanowicz Karolina , Grzybowski Andrzej , Paluch Marian
Published: January 2020

Computer simulations of model systems play a remarkable role in the contemporary studies of structural, dynamic and thermodynamic properties of supercooled liquids. However, the commonly employed model systems, i.e., simple-liquids, do not reflect the internal features of the real molecules, e.g., structural anisotropy and spatial distribution of charges, which might be crucial for the behavior of real materials. In this paper, we use the new model molecules of simple but anisotropic structure, to studies the effect of dipole moment orientation on the crystallization tendency. Our results indicate that proper orientation of the dipole moment could totally change the stability behavior of the system. Consequently, the exchange of a single atom within the molecule causing the change of dipole moment orientation might be crucial for controlling the crystallization tendency. Moreover, employing the classical nucleation theory, we explain the reason for this behavior.
Role of surface microgeometries on electron escape probability and secondary electron yield of metal surfaces
Authors: Bajek D. , Wackerow S. , Zanin D. A. , Baudin L. , Bogdanowicz K. , Valdivieso E. Garcia-Tabares , Calatroni S. , Di Girolamo B. , Sitko M. , Himmerlich M. , Taborelli M. , Chiggiato P. , Abdolvand A.
Published: January 2020

The influence of microgeometries on the Secondary Electron Yield (SEY) of surfaces is investigated. Laser written structures of different aspect ratio (height to width) on a copper surface tuned the SEY of the surface and reduced its value to less than unity. The aspect ratio of microstructures was methodically controlled by varying the laser parameters. The results obtained corroborate a recent theoretical model of SEY reduction as a function of the aspect ratio of microstructures. Nanostructures - which are formed inside the microstructures during the interaction with the laser beam - provided further reduction in SEY comparable to that obtained in the simulation of structures which were coated with an absorptive layer suppressing secondary electron emission.
The crystallization behavior of the aqueous solution of CaCl2 salt in a drop and a layer
Authors: Misyura S. Y.
Published: January 2020

Non-isothermal evaporation during crystallization of CaCl2 salt in a droplet and a thin layer on a hot wall has been investigated experimentally. The growth of salt crystal hydrates (CaCl2·2H2O) on the interface has been studied. It has been found that the change in the initial salt concentration leads to different crystallization rates. The crystallization rate on the droplet interface is many times lower than for a thin layer. The description of crystallization in the salt solution droplet should take into account the crystallization anisotropy, which is associated with the direction of crystallization. The crystallization rate along the contact line of the droplet is many times higher than in the direction of the droplet radius. For a long time of crystallization, the area of the crystal film (outside the drop) increases several times. Four characteristic modes of crystallization to a drop of salt solution have been distinguished. When modeling crystallization, it is necessary to take into account multiple changes in the growth rate of salt crystallohydrates over time, as well as the anisotropic nature of crystallization.
Elevated Coefficient of Variation in Total Fecal Bile Acids Precedes Diagnosis of Necrotizing Enterocolitis
Authors: Knapp Shannon , Kehring Allysa , Stepp Jennifer , Calton Christine M. , Gephart Sheila M. , Bandlamuri Sruti , Boyle Kate E. , Dietz Grey I. , Johnson Haeley , Romo Ryan E. , Spencer Mackenzie , Bedrick Alan D. , Halpern Melissa D.
Published: January 2020

Accumulation of bile acids (BAs) may mediate development of necrotizing enterocolitis (NEC). Serial fecal samples were collected from premature infants with birth weight (BW) ≤ 1800 g, estimated gestational age (EGA) ≤ 32 weeks, and <30 days old prior to initiation of enteral feeding. Nine infants that developed Bell’s Stage ≥ II NEC were matched with control infants based on BW, EGA, day of life (DOL) enteral feeding was initiated and DOL of the first sample. From each subject, five samples matched by DOL collected were analyzed for BA levels and composition. Fifteen individual BA species were measured via LC-MS/MS and total BA levels were measured using the Diazyme Total Bile Acid Assay kit. No statistically significant differences in composition were observed between control and NEC at the level of individual species (p = 0.1133) or grouped BAs (p = 0.0742). However, there was a statistically significant difference (p = 0.000012) in the mean coefficient of variation (CV) between the two groups with infants developing NEC having more than four-fold higher mean CV than controls. Importantly, these variations occurred prior to NEC diagnosis. These data suggest fluctuations in total fecal BA levels could provide the basis for the first predictive clinical test for NEC.
Domain-mediated interactions for protein subfamily identification
Authors: Lee Heetak , Kim Inhae , Han Seong Kyu , Kim Donghyo , Kong Jungho , Kim Sanguk
Published: January 2020

Within a protein family, proteins with the same domain often exhibit different cellular functions, despite the shared evolutionary history and molecular function of the domain. We hypothesized that domain-mediated interactions (DMIs) may categorize a protein family into subfamilies because the diversified functions of a single domain often depend on interacting partners of domains. Here we systematically identified DMI subfamilies, in which proteins share domains with DMI partners, as well as with various functional and physical interaction networks in individual species. In humans, DMI subfamily members are associated with similar diseases, including cancers, and are frequently co-associated with the same diseases. DMI information relates to the functional and evolutionary subdivisions of human kinases. In yeast, DMI subfamilies contain proteins with similar phenotypic outcomes from specific chemical treatments. Therefore, the systematic investigation here provides insights into the diverse functions of subfamilies derived from a protein family with a link-centric approach and suggests a useful resource for annotating the functions and phenotypic outcomes of proteins.
Soil aggregates stability and storage of soil organic carbon respond to cropping systems on Black Soils of Northeast China
Authors: Zhou Meng , Liu Chunzhu , Wang Jie , Meng Qingfeng , Yuan Ye , Ma Xianfa , Liu Xiaobing , Zhu Yingxue , Ding Guangwei , Zhang Jizhou , Zeng Xiannan , Du Weiling
Published: January 2020

Monoculture and improper management may reduce soil fertility and deteriorate soil structure in Black soils (Mollisols) of Northeast China. The experiment was carried out from 2015 to 2016 in Black Soils comprising five cropping systems: continuous corn (CC), soybean-corn rotation (SC), corn-soybean rotation (CS), fallow-corn (FC), and fallow-soybean (FS). Our results showed that CS and FS treatments significantly increased mean weight diameter (MWD) and fractal dimension (D) in mechanical stability aggregates (MSAs), and increased MWD and geometric mean diameter (GMD) in water-stable aggregates (WSAs) compared with CC treatment. These two treatments were also significantly increased water-stable aggregates stability rate (WSAR), but decreased percentage of aggregates destruction (PAD) than CC treatment. Meanwhile, CS and FS treatments exhibited a higher carbon accumulation than CC treatment in bulk soils. Soil organic carbon (SOC) concentration in WSA0.106-0.25,WSA2-5 mmand WSA0.5-1 mmhad a dominant effect on aggregate stability. Simutaneously, SOC in WSA>5 mmaffected SOC concentration in bulk soils. As a whole, the CS and FS treatments can increase the percentage of macro-aggregates, enhance aggregate stability, as well as increase SOC concentration in bulk soils and all soil aggregate sizes.
Recombinant thrombomodulin prevents acute lung injury induced by renal ischemia-reperfusion injury
Authors: Hayase Naoki , Doi Kent , Hiruma Takahiro , Matsuura Ryo , Hamasaki Yoshifumi , Noiri Eisei , Nangaku Masaomi , Morimura Naoto
Published: January 2020

Acute kidney injury (AKI) complicated by acute lung injury has a detrimental effect on mortality among critically ill patients. Recently, a renal ischemia-reperfusion (IR) model suggested the involvement of histones and neutrophil extracellular traps (NETs) in the development of distant lung injury after renal IR. Given that recombinant thrombomodulin (rTM) has anti-inflammatory roles by binding to circulating histones, we aimed to clarify its effect on distant lung injury induced by AKI in a murine bilateral renal IR model. Both pretreatment and delayed treatment with rTM significantly decreased pulmonary myeloperoxidase activity, but they did not affect renal dysfunction at 24 h after renal IR. Additionally, rTM mitigated the renal IR-augmented expression of proinflammatory cytokines (tumor necrosis factor-α, interleukin-6, and keratinocyte-derived chemokine), and vascular leakage, as well as the degree of lung damage. Intense histone accumulation and active NET formation occurred in both the kidneys and the lungs; however, rTM significantly decreased the histone and NET accumulation only in the lungs. Administration of rTM may have protective impact on the lungs after renal IR by blocking histone and NET accumulation in the lungs, although no protection was observed in the kidneys. Treatment with rTM may be an adjuvant strategy to attenuate distant lung injury complicating AKI.
Author Correction: Atypical postural control can be detected via computer vision analysis in toddlers with autism spectrum disorder
Authors: Dawson Geraldine , Campbell Kathleen , Hashemi Jordan , Lippmann Steven J. , Smith Valerie , Carpenter Kimberly , Egger Helen , Espinosa Steven , Vermeer Saritha , Baker Jeffrey , Sapiro Guillermo
Published: January 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: Association between social asymmetry and depression in older adults: A phone Call Detail Records analysis
Authors: Aubourg Timothée , Demongeot Jacques , Renard Félix , Provost Hervé , Vuillerme Nicolas
Published: January 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Publisher Correction: Genetic variation affects binge feeding behavior in female inbred mouse strains
Authors: Newmyer Brandon A. , Whindleton Ciarra M. , Srinivasa Nandan , Jones Marieke K. , Scott Michael M.
Published: January 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
A new chromogenic and fluorescent chemosensor based on a naphthol–bisthiazolopyridine hybrid: a fast response and selective detection of multiple targets, silver, cyanide, sulfide, and hydrogen sulfide ions and gaseous H2S
Authors: Kargar Maryam , Darabi Hossein Reza , Sharifi Ali , Mostashari Abdoljalil
Published: January 2020

This optical probe selectively recognized the titled analytes by the color changes, which are applicable by solution or solid kits.
Sodium anilinide–cyclohexylamide pair: synthesis, characterization, and hydrogen storage properties
Authors: Jing Zijun , Yu Yang , Chen Ruting , Tan Khai Chen , He Teng , Wu Anan , Pei Qijun , Chua Yong Shen , Zheng Dewen , Zhang Xi , Ge Zhixin , Zhang Fudong , Chen Ping
Published: January 2020

Metallo anilinide–cyclohexylamide pairs with promising thermodynamic properties for reversible hydrogen storage were successfully developed for the first time.
Ratiometric detection of amyloid-β aggregation by a dual-emissive tris-heteroleptic ruthenium complex
Authors: Shao Jiang-Yang , Wu Si-Hai , Ma Junjie , Gong Zhong-Liang , Sun Tian-Ge , Jin Yulong , Yang Rong , Sun Bin , Zhong Yu-Wu
Published: January 2020

A dual-emissive tris-heteroleptic ruthenium complex is reported for the ratiometric photoluminescent detection of amyloid-β aggregation in steady and transient states.
A self-powered 3D DNA walker with programmability and signal-amplification for illuminating microRNA in living cells
Authors: Yang Xue-Jiao , Cui Mei-Rong , Li Xiang-Ling , Chen Hong-Yuan , Xu Jing-Juan
Published: January 2020

We construct a target-triggered, self-powered 3D DNA walker for achieving intracellular signal amplification and sensitive imaging analysis of microRNAs.
One simple Ir/hydrosilane catalytic system for chemoselective isomerization of 2-substituted allylic ethers
Authors: Gao Weiwei , Zhang Xueyan , Xie Xingze , Ding Shengtao
Published: January 2020

One mild and simple Ir/hydrosilane catalytic system for isomerization of 2-substituted allylic ethers with high specificity and chemoselectivity was developed.
Manipulating the surface composition of Pt–Ru bimetallic nanoparticles to control the methanol oxidation reaction pathway
Authors: Wang Qingmei , Chen Siguo , Jiang Jian , Liu Jinxuan , Deng Jianghai , Ping Xinyu , Wei Zidong
Published: January 2020

Here, we achieve surface composition by precisely manipulating bimetallic Pt–Ru alloys from Pt-skin-rich to Ru-skin-rich materials and report that the MOR pathway can be controlled by tuning the location and content of Ru on the Pt–Ru alloy surface.
A crystalline C5-protonated 1,3-imidazol-4-ylidene
Authors: Rottschäfer Dennis , Glodde Timo , Neumann Beate , Stammler Hans-Georg , Ghadwal Rajendra S.
Published: January 2020

The first C5-protonated 1,3-imidazole-based mesoionic carbene (iMICBp) has been isolated and characterized by single-crystal X-ray diffraction.
Molten salt assisted assembly growth of atomically thin boron carbon nitride nanosheets for photocatalytic H2 evolution
Authors: Zhang Mingwen , Zhou Min , Luo Zhishan , Zhang Jinshui , Wang Sibo , Wang Xinchen
Published: January 2020

Atomically thin boron carbon nitride nanosheets (BCNNS) with high quality and large lateral size are synthesized via a novel molten salt assisted assembly growth strategy. The BCNNS show enhanced photocatalytic H2 evolution activity in visible light.
Visual and real-time imaging focusing for highly sensitive laser-induced fluorescence detection at yoctomole levels in nanocapillaries
Authors: Zhang Wenmei , Liu Lei , Zhang Qi , Zhang Dongtang , Hu Qin , Wang Yanan , Wang Xiayan , Pu Qiaosheng , Guo Guangsheng
Published: January 2020

We developed a highly sensitive laser-induced fluorescence detection system, involving visual and real-time imaging focusing instead of the use of fluorescent reagents, for the detection of analytes in nanocapillaries.
Integration of a peptide–DNA conjugate with multiple cyclic signal amplification for the ultrasensitive detection of cathepsin B activity
Authors: Wang Zi-yue , Zhang Cheng-peng , Zhang Chun-yang
Published: January 2020

We integrate a peptide–DNA conjugate with multiple cyclic signal amplification for the sensitive detection of cathepsin B activity.
Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities
Authors: Isakov Anton I. , Lorenz Heike , Zolotarev Andrey A. , Kotelnikova Elena N.
Published: January 2020

Equimolar and non-equimolar heterocompounds of amino acids are examined with a common approach considering their molecular dimers, side chain structures and conformations.
Theoretical study on the microscopic mechanism of lignin solubilization in Keggin-type polyoxometalate ionic liquids
Authors: Ju Zhaoyang , Xiao Weihua , Yao Xiaoqian , Tan Xin , Simmons Blake A. , Sale Kenneth L. , Sun Ning
Published: January 2020

The microscopic mechanism of lignin solubilization in Keggin-type polyoxometalate ionic liquids had been studied by theoretical calculations.
Complex magnetic ordering in nanoporous [Co/Pd]5-IrMn multilayers with perpendicular magnetic anisotropy and its impact on magnetization reversal and magnetoresistance
Authors: Wu Wen-Bin , Kasiuk Julia , Nguyen Thi Ngoc Anh , Fedotova Julia , Przewoźnik Janusz , Kapusta Czesław , Kupreeva Olga , Lazarouk Serguei , Do Khanh Tung , Nguyen Thanh Huong , Vu Hong Ky , Vu Dinh Lam , Åkerman Johan
Published: January 2020

Complex magnetic ordering in a porous [Co/Pd]5-IrMn multilayered film is modeled for interpreting its magnetization reversal and magnetoresistance mechanisms and explaining its high-resistive and low-resistive states in opposite external fields.
Theoretical prediction of T-graphene as a promising alkali-ion battery anode offering ultrahigh capacity
Authors: Hu Junping , Liu Yu , Liu Ning , Li Jianwen , Ouyang Chuying
Published: January 2020

By DFT, we demonstrate that T-graphene, a carbon allotrope graphene-like monolayer, can be an ideal AIB anode offering ultrahigh capacity.
Toward accurate measurement of the intrinsic quantum yield of lanthanide complexes with back energy transfer
Authors: Omagari Shun , Vacha Martin
Published: January 2020

This work theoretically shows that the intrinsic quantum yields are different between ligand excitation and direct lanthanide excitation in the presence of back energy transfer.
Enhancing the stability of perovskites by constructing heterojunctions of graphene/MASnI3
Authors: Hu Zhihua , Zeng Yanli , Li Xiaoyan , Meng Lingpeng
Published: January 2020

First-principles calculations show that coating a graphene sheet on the MASnI3 surface has no obvious influence on the electronic structure of the surface, but it is an effective strategy of enhancing the stability of the perovskite materials.
Thermochemical studies of reactions of Re+ with SO2 using guided ion beam experiments and theory
Authors: Kim JungSoo , M Cox Richard , Armentrout P. B.
Published: January 2020

Cross sections for formation of ReO+ from reactions of Re+ with SO2, O2, and CO yield qualitatively different profiles, which appears to be related to conservation of planar symmetry.
Functional models of nonheme diiron enzymes: reactivity of the μ-oxo-μ-1,2-peroxo-diiron(iii) intermediate in electrophilic and nucleophilic reactions
Authors: Kripli Balázs , Szávuly Miklós , Csendes Flóra Viktória , Kaizer József
Published: January 2020

The ambiphilic behavior (electrophilic versus nucleophilic character) of the peroxo-diferric complex and its relative reactivity towards aldehydes and phenols have been discussed.
Reactions of carbene-stabilized borenium cations
Authors: Lam Jolie , Cao Levy L. , Farrell Jeffrey M. , Stephan Douglas. W.
Published: January 2020

A borenium cation containing BH bond is shown to react with olefins, alkynes vinyl-pyridine and phosphinoalkene. Related reactivity of C3-borenium cations with the FLP, PtBu3/B(C6F5)3 is shown to give the zwitterionic borenium-borate species.
Lanthanide conjugates as versatile instruments for therapy and diagnostics
Authors: Herlan Claudine , Bräse Stefan
Published: January 2020

Lanthanides have demonstrated outstanding properties in many fields of research including biology and medicinal chemistry.
Understanding charge transport in donor/acceptor blends from large-scale device simulations based on experimental film morphologies
Authors: Li Haoyuan , Sini Gjergji , Sit Joseph , Moulé Adam J. , Bredas Jean-Luc
Published: January 2020

Simulation of the microscopic processes in the active layers of organic photovoltaic devices directly from experimental film morphologies.
Synthesis and characterisation of isothiocyanate functionalised silicon nanoparticles and their uptake in cultured colonic cells
Authors: Chao Yimin , Marsh Ashley I. , Behray Mehrnaz , Guan Feng , Engdahl Anders , Chao Yueyang , Wang Qi , Bao Yongping
Published: January 2020

Isothiocyanate functionalised silicon nanoparticles were successfully synthesised for monitored drug delivery.