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#1

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#2

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#3

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#4

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#5

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#6

 

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Description Iatrogenic ureteral injuries (IUI) occur in 0.5–1.3% of cases during abdominal surgery. If not recognized intraoperatively, IUI increase morbidity/mortality. A universally accepted method to prevent IUI is lacking. Near-infrared fluorescent imaging (NIRF), penetrating deeper than normal light within the tissue, might be useful, therefore ureter visualization combining NIRF with special dyes (i.e. IRDye 800BK) is promising. Aim of this work is to evaluate the detection of ureters using stents coated with a novel biocompatible fluorescent material (NICE: near-infrared coating of equipment), during laparoscopy. female pigs underwent placement of NICE-coated stents (NS). NIRF was performed, and fluorescence intensity (FI) was computed. Successively, 0.15 mg/kg of IRDye 800BK was administered intravenously, and FI was computed at different timepoints. Ureter visualization using NS only was further assessed in a human cadaver. Both methods allowed in vivo ureter visualization, with equal FI. However, NS were constantly visible whereas IRDye 800BK allowed visualization exclusively during the ureteral peristaltic phases. In the human cadaver, NS provided excellent ureter visualization in its natural anatomical position. NS provided continuous ureteral visualization with similar FI as the IRDye 800BK, which exclusively allowed intermittent visualization, dependent on ureteral peristalsis. NS might prove useful to visualize ureters intraoperatively, potentially preventing IUI.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#7

 

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Description Emergence of malignant ureteral obstruction (MUO) has been reported as a sign of poor prognosis; however, the distribution of survival time in patients with MUO is considerably wide, and no risk classification score has been constructed. To evaluate whether a novel risk classification score for overall survival that we previously developed, is effective in a large cohort. Investigator-initiated, prospective, multicenter diagnostic/prognostic study was conducted. Patients with MUO were divided into three risk groups based on the score calculated using four prognostic factors (PLaCT: Primary site, Laterality, serum Creatinine level, and Treatment for primary site) at the first visit, and prospective follow-up was performed. Overall survival and ureteral stent failure-free survival of each risk group were compared. In total, 300 patients with 21 different primary sites were enrolled. The numbers of patients in good, intermediate, and poor risk groups were 105, 106, and 89, respectively. Median survival times of patients in good, intermediate, and poor risk groups were 406, 221, and 77 days, respectively (P < 0.0001). In 217 patients with ureteral stenting, median ureteral stent failure-free survival times of good, intermediate, and poor risk groups were 385, 183, and 57 days, respectively (P < 0.0001). Limitations include the limited ethnicity and the extended duration of study enrollment. The novel PLaCT risk classification score could divide MUO patients into three risk groups with distinct survival times and ureteral stent patencies. This score will aid in establishing prognosis and treatment strategy for all physicians engaged in cancer treatment.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#8

 

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Description To evaluate the effects of intravitreal ranibizumab injection (IVR) on metamorphopsia in patients with branch retinal vein occlusion (BRVO), and to assess the relationship between metamorphopsia and inner retinal microstructure and other factors. Thirty-three treatment-naïve eyes of 33 patients with macular edema caused by BRVO with at least 12 months of follow-up were included. The degree of metamorphopsia was quantified using the M-CHARTS. Retinal microstructure was assessed with spectral-domain optical coherence tomography. Disorganization of the retinal inner layers (DRIL) at the first month after resolution of the macular edema (early DRIL) and at 12 months after treatment (after DRIL) was studied. Central retinal thickness (CRT), and status of the external limiting membrane as well as ellipsoid zone were also evaluated. IVR treatment significantly improved best-corrected visual acuity (BCVA) and CRT, but the mean metamorphopsia score did not improve even after 12 months. Post-treatment metamorphopsia scores showed a significant correlation with pre-treatment metamorphopsia scores (P < 0.005), the extent of early DRIL (P < 0.05) and after DRIL (P < 0.05), and the number of injections (P < 0.05). Multivariate analysis revealed that the post-treatment mean metamorphopsia score was significantly correlated with the pre-treatment mean metamorphopsia score (P < 0.05). IVR treatment significantly improved BCVA and CRT, but not metamorphopsia. Post-treatment metamorphopsia scores were significantly associated with pre-treatment metamorphopsia scores, the extent of DRIL, and the number of injections. Prognostic factor of metamorphopsia was the degree of pre-treatment metamorphopsia.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#9

 

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Description Mechanical unloading of the left ventricle reduces infarct size after acute myocardial infarction by reducing cardiac work. Left ventricular veno-occlusive unloading reduces cardiac work and may reduce ischemia and reperfusion injury. In a porcine model of myocardial ischemia–reperfusion injury we randomized 18 pigs to either control or veno-occlusive unloading using a balloon engaged from the femoral vein into the inferior caval vein and inflated at onset of ischemia. Evans blue and 2,3,5-triphenyltetrazolium chloride were used to determine the myocardial area at risk and infarct size, respectively. Pressure–volume loops were recorded to calculate cardiac work, left ventricular (LV) volumes and ejection fraction. Veno-occlusive unloading reduced infarct size compared with controls (Unloading 13.9 ± 8.2% versus Control 22.4 ± 6.6%; p = 0.04). Unloading increased myocardial salvage (54.8 ± 23.4% vs 28.5 ± 14.0%; p = 0.02), while the area at risk was similar (28.4 ± 6.7% vs 27.4 ± 5.8%; p = 0.74). LV ejection fraction was preserved in the unloaded group, while the control group showed a reduced LV ejection fraction. Veno-occlusive unloading reduced myocardial infarct size and preserved LV ejection fraction in an experimental acute ischemia–reperfusion model. This proof-of-concept study demonstrated the potential of veno-occlusive unloading as an adjunctive cardioprotective therapy in patients undergoing revascularization for acute myocardial infarction.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#10

 

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Description Long-term pathogen and tumor control as well as checkpoint immunotherapies rely on ‘stem-like’ CD8+ T cells. New results uncover BACH2 as a key regulator of this subpopulation and solve an important piece of the puzzle.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#11

 

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Description Effector T cells leave the lymph nodes armed with specialized functional attributes. Their antigenic targets may be located anywhere in the body, posing the ultimate challenge: how to efficiently identify the target tissue, navigate through a complex tissue matrix and, ultimately, locate the immunological insult. Recent advances in real-time in situ imaging of effector T cell migratory behaviour have revealed a great degree of mechanistic plasticity that enables effector T cells to push and squeeze their way through inflamed tissues. This process is shaped by an array of ‘stop’ and ‘go’ guidance signals including target antigens, chemokines, integrin ligands and the mechanical cues of the inflamed microenvironment. Effector T cells must sense and interpret these competing signals to correctly position themselves to mediate their effector functions for complete and durable responses in infectious disease and malignancy. Tuning T cell migration therapeutically will require a new understanding of this complex decision-making process. In this Review, Deborah Fowell and Minsoo Kim highlight the complexity of the biochemical and mechanical cues that facilitate T cell migration. They explain how effector T cells are able to use these cues to navigate through complex tissue environments to respond to pathogens and other immunological challenges.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#12

 

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Description The use of particle accelerators as photon sources has enabled advances in science and technology1. Currently the workhorses of such sources are storage-ring-based synchrotron radiation facilities2–4 and linear-accelerator-based free-electron lasers5–14. Synchrotron radiation facilities deliver photons with high repetition rates but relatively low power, owing to their temporally incoherent nature. Free-electron lasers produce radiation with high peak brightness, but their repetition rate is limited by the driving sources. The steady-state microbunching15–22 (SSMB) mechanism has been proposed to generate high-repetition, high-power radiation at wavelengths ranging from the terahertz scale to the extreme ultraviolet. This is accomplished by using microbunching-enabled multiparticle coherent enhancement of the radiation in an electron storage ring on a steady-state turn-by-turn basis. A crucial step in unveiling the potential of SSMB as a future photon source is the demonstration of its mechanism in a real machine. Here we report an experimental demonstration of the SSMB mechanism. We show that electron bunches stored in a quasi-isochronous ring can yield sub-micrometre microbunching and coherent radiation, one complete revolution after energy modulation induced by a 1,064-nanometre-wavelength laser. Our results verify that the optical phases of electrons can be correlated turn by turn at a precision of sub-laser wavelengths. On the basis of this phase correlation, we expect that SSMB will be realized by applying a phase-locked laser that interacts with the electrons turn by turn. This demonstration represents a milestone towards the implementation of an SSMB-based high-repetition, high-power photon source. The mechanism of steady-state electron microbunching is demonstrated, providing a basis that will enable its full implementation in electron storage rings to generate high-repetition, high-power coherent radiation.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#13

 

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Description There is limited evidence supporting the usefulness of endoscopic retrograde pancreatic drainage (ERPD) for symptomatic pancreaticojejunal anastomotic stenosis (sPJS). We examined the usefulness of ERPD for sPJS. We conducted a retrospective analysis of 10 benign sPJS patients. A forward-viewing endoscope was used in all sessions. Following items were evaluated: technical success, adverse events, and clinical outcome of ERPD. The technical success rate was 100% (10/10) in initial ERPD; 9 patients had a pancreatic stent (no-internal-flap: n = 4, internal-flap: n = 5). The median follow-up was 920 days. Four patients developed recurrence. Among them, 3 had a stent with no-internal-flap in initial ERPD, the stent migrated in 3 at recurrence, and a stent was not placed in 1 patient in initial ERPD. Four follow-up interventions were performed. No recurrence was observed in 6 patients. None of the stents migrated (no-internal-flap: n = 1, internal-flap: n = 5) and no stents were replaced due to stent failure. Stenting with no-internal-flap was associated with recurrence (p = 0.042). Mild adverse events developed in 14.3% (2/14). In conclusions, ERPD was performed safely with high technical success. Recurrence was common after stenting with no-internal-flap. Long-term stenting did not result in stent failure. Clinical trial register and their clinical registration number: Nos. 58-115 and R2-9.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#14

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#15

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#16

 

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Description Chlorinated Paraffins (CPs) are high volume production chemicals and have been found in various organisms including humans and in environmental samples from remote regions. It is thus of great importance to understand the physical–chemical properties of CPs. In this study, gas chromatographic (GC) retention indexes (RIs) of 25 CP congeners were measured on various polar and nonpolar columns to investigate the relationships between the molecular structure and the partition properties. Retention measurements show that analytical standards of individual CPs often contain several stereoisomers. RI values show that chlorination pattern have a large influence on the polarity of CPs. Single Cl substitutions (–CHCl–, –CH2Cl) generally increase polarity of CPs. However, many consecutive –CHCl– units (e.g., 1,2,3,4,5,6-C11Cl6) increase polarity less than expected from the total number of –CHCl– units. Polyparameter linear free energy relationship descriptors show that polarity difference between CP congeners can be explained by the H-bond donating properties of CPs. RI values of CP congeners were predicted using the quantum chemically based prediction tool COSMOthermX. Predicted RI values correlate well with the experimental data (R2, 0.975–0.995), indicating that COSMOthermX can be used to accurately predict the retention of CP congeners on GC columns.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#17

 

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Description Noise is expected to play an important role in the dynamics of analog systems such as coupled oscillators which have recently been explored as a hardware platform for application in computing. In this work, we experimentally investigate the effect of noise on the synchronization of relaxation oscillators and their computational properties. Specifically, in contrast to its typically expected adverse effect, we first demonstrate that a common white noise input induces frequency locking among uncoupled oscillators. Experiments show that the minimum noise voltage required to induce frequency locking increases linearly with the amplitude of the oscillator output whereas it decreases with increasing number of oscillators. Further, our work reveals that in a coupled system of oscillators—relevant to solving computational problems such as graph coloring, the injection of white noise helps reduce the minimum required capacitive coupling strength. With the injection of noise, the coupled system demonstrates frequency locking along with the desired phase-based computational properties at 5 × lower coupling strength than that required when no external noise is introduced. Consequently, this can reduce the footprint of the coupling element and the corresponding area-intensive coupling architecture. Our work shows that noise can be utilized as an effective knob to optimize the implementation of coupled oscillator-based computing platforms.

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#18

 

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Description TBD

#Theoretical sciences
Field # Theoretical sciences
Updated 24 February 2021

#19

 

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Description A new paradigm is emerging in which molecular properties are controlled by modifying the local electromagnetic environment, rather than the traditional approach of changing their composition or structure. Now, a tool to investigate such effects has been demonstrated that should accelerate progress in this exciting field.

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#20

 

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Description Here's a look at why Hewlett Packard Enterprise acquired cloud assessment 'crown jewel' CloudPhysics

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#21

 

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Description Previous research on early deafness has primarily focused on the behavioral and neural changes in the intact visual and tactile modalities. However, how early deafness changes the interplay of these two modalities is not well understood. In the current study, we investigated the effect of auditory deprivation on visuo-tactile interaction by measuring the cross-modal motion aftereffect. Consistent with previous findings, motion aftereffect transferred between vision and touch in a bidirectional manner in hearing participants. However, for deaf participants, the cross-modal transfer occurred only in the tactile-to-visual direction but not in the visual-to-tactile direction. This unidirectional cross-modal motion aftereffect found in the deaf participants could not be explained by unisensory motion aftereffect or discrimination threshold. The results suggest a reduced visual influence on tactile motion perception in early deaf individuals.

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#22

 

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Description Triggered release and targeted drug delivery of potent anti-cancer agents using hyperthermia-mediated focused-ultrasound (FUS) is gaining momentum in the clinical setting. In early phase studies, tissue biopsy samples may be harvested to assess drug delivery efficacy and demonstrate lack of instantaneous cell death due to FUS exposure. We present an optimised tissue cell recovery method and a cell viability assay, compatible with intra-cellular doxorubicin. Flow cytometry was used to determine levels of cell death with suspensions comprised of: (i) HT29 cell line exposed to hyperthermia (30 min at 47 °C) and/or doxorubicin, or ex-vivo bovine liver tissue exposed to (ii) hyperthermia (up to 2 h at 45 °C), or (iii) ablative high intensity FUS (HIFU). Flow cytometric analysis revealed maximal cell death in HT29 receiving both heat and doxorubicin insults and increases in both cell granularity (p < 0.01) and cell death (p < 0.01) in cells recovered from ex-vivo liver tissue exposed to hyperthermia and high pressures of HIFU (8.2 MPa peak-to-peak free-field at 1 MHz) relative to controls. Ex-vivo results were validated with microscopy using pan-cytokeratin stain. This rapid, sensitive and highly quantitative cell-viability method is applicable to the small masses of liver tissue typically recovered from a standard core biopsy (5–20 mg) and may be applied to tissues of other histological origins including immunostaining.

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#23

 

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Description TBD

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#24

 

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Description Decoded neurofeedback (DecNef) is a form of closed-loop functional magnetic resonance imaging (fMRI) combined with machine learning approaches, which holds some promises for clinical applications. Yet, currently only a few research groups have had the opportunity to run such experiments; furthermore, there is no existing public dataset for scientists to analyse and investigate some of the factors enabling the manipulation of brain dynamics. We release here the data from published DecNef studies, consisting of 5 separate fMRI datasets, each with multiple sessions recorded per participant. For each participant the data consists of a session that was used in the main experiment to train the machine learning decoder, and several (from 3 to 10) closed-loop fMRI neural reinforcement sessions. The large dataset, currently comprising more than 60 participants, will be useful to the fMRI community at large and to researchers trying to understand the mechanisms underlying non-invasive modulation of brain dynamics. Finally, the data collection size will increase over time as data from newly run DecNef studies will be added. Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13578008

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#25

 

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Description Extensive epigenetic reprogramming occurs during preimplantation embryo development. However, it remains largely unclear how the drastic epigenetic reprogramming contributes to transcriptional regulatory network during this period. Here, we develop a single-cell multiomics sequencing technology (scNOMeRe-seq) that enables profiling of genome-wide chromatin accessibility, DNA methylation and RNA expression in the same individual cell. We apply this method to depict a single-cell multiomics map of mouse preimplantation development. We find that genome-wide DNA methylation remodeling facilitates the reconstruction of genetic lineages in early embryos. Further, we construct a zygotic genome activation (ZGA)-associated regulatory network and reveal coordination among multiple epigenetic layers, transcription factors and repeat elements that instruct proper ZGA. Cell fates associated cis-regulatory elements are activated stepwise in post-ZGA stages. Trophectoderm (TE)-specific transcription factors play dual roles in promoting the TE program while repressing the inner cell mass (ICM) program during the ICM/TE separation. Extensive epigenetic reprogramming occurs during preimplantation embryo development. Here the authors develop a single cell multiomics sequencing technology that enables profiling of genome-wide chromatin accessibility, DNA methylation and RNA expression in the same individual cell and apply this method to study mouse preimplantation embryos.

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#26

 

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Description Conversion of clean solar energy to chemical fuels is one of the promising and up-and-coming applications of metal–organic frameworks. However, fast recombination of photogenerated charge carriers in these frameworks remains the most significant limitation for their photocatalytic application. Although the construction of homojunctions is a promising solution, it remains very challenging to synthesize them. Herein, we report a well-defined hierarchical homojunction based on metal–organic frameworks via a facile one-pot synthesis route directed by hollow transition metal nanoparticles. The homojunction is enabled by two concentric stacked nanoplates with slightly different crystal phases. The enhanced charge separation in the homojunction was visualized by in-situ surface photovoltage microscopy. Moreover, the as-prepared nanostacks displayed a visible-light-driven carbon dioxide reduction with very high carbon monooxide selectivity, and excellent stability. Our work provides a powerful platform to synthesize capable metal–organic framework complexes and sheds light on the hierarchical structure-function relationships of metal–organic frameworks. Homojunctions are very promising in photocatalysis, but challenging to achieve. Herein, authors report a well-defined hierarchical metal–organic framework-based homojunction, formed via a one-pot synthesis route directed by hollow transition metal nanoparticles, as photocatalysts for CO2 reduction.

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#27

 

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Description Soil salinity affects soil quality and reduces plant performance. Arbuscular mycorrhizal fungi (AMF) can enhance the tolerance of plants under salinity stress. Cultivation of eucalyptus (Eucalyptus camaldulensis), which exhibits high water use efficiency, is possible in saline areas to produce raw materials for the pulp industry. We determined the effects of arbuscular mycorrhizal fungi (AMF) on the growth and survival of eucalyptus seedlings under saline conditions. Three different clones of eucalyptus seedlings were pre-inoculated with three salt-tolerant AMF species, namely Glomus sp.2, Gigaspora albida and G. decipiens, and without pre-inoculation. The seedlings were grown in a greenhouse for 45 days. They were then transferred to individual pots, filled with field soil and subsequently treated with NaCl solution until electro-conductivity (EC) reached 10, 15 and 20 dS m−1. They were watered for 90 days under nursery conditions. The results show that increased salinity levels reduced plant performance, fractional AMF root colonization, spore number, and eucalypt K/Na ratio. AMF significantly increased chlorophyll and decreased leaf proline concentrations by more than 50% and 20% respectively and increased the K/Na ratio three- to six-fold compared with non-inoculated plants. Pre-inoculation with AMF before outplanting also improved plant performance by more than 30% under salinity stress compared to non-inoculated plants. We conclude that AMF can alleviate the negative impacts of salinity on plant physiological and biochemical parameters.

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#28

 

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Description There is a growing trend to explore microalgae as an alternative resource for the food, feed, pharmaceutical, cosmetic and fuel industry. Moreover, the polar lipidome of microalgae is interesting because of the reports of bioactive polar lipids which could foster new applications for microalgae. In this work, we identified for the first time the Chlorococcum amblystomatis lipidome using hydrophilic interaction liquid chromatography-high resolution electrospray ionization- tandem mass spectrometry (HILIC–HR–ESI–MS/MS). The Chlorococcum amblystomatis strain had a lipid content of 20.77% and the fatty acid profile, determined by gas chromatography-mass spectrometry, has shown that this microalga contains high amounts of omega-3 polyunsaturated fatty acids (PUFAs). The lipidome identified included 245 molecular ions and 350 lipid species comprising 15 different classes of glycolipids (6), phospholipids (7) and betaine lipids (2). Of these, 157 lipid species and the main lipid species of each class were esterified with omega-3 PUFAs. The lipid extract has shown antioxidant activity and anti-inflammatory potential. Lipid extracts also had low values of atherogenic (0.54) and thrombogenic index (0.27). In conclusion, the lipid extracts of Chlorococcum amblystomatis have been found to be a source of lipids rich in omega-3 PUFAs for of great value for the food, feed, cosmetic, nutraceutical and pharmaceutical industries.

#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#29

 

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#Theoretical sciences
Field # Theoretical sciences
Updated 23 February 2021

#30

 

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Description Exciton diffusion lengths reaching the micrometer length scale have long been desired in solution-processed semiconductors but have remained unattainable using conventional materials to date. Now halide perovskite nanocrystal films show unprecedented exciton migration with diffusion lengths approaching 1 µm owing to the efficient combination of radiative and nonradiative energy transfer.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#31

 

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Description Plasmonic structures made of a semiconductor-insulator-metal hybrid provide efficient routes for second-harmonic and sum-frequency generation in sub-micrometer structures, which ultimately may boost on-chip integrated plasmonic circuits.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#32

 

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Description Secondary hyperparathyroidism (sHPT) as a result of chronic kidney disease (CKD) is a common health problem and has been reported to manifest at the sacroiliac joints (SIJ). The aim of this investigation was to systematically assess sacroiliac joint changes in asymptomatic sHPT as detected by high-resolution CT. Included in this IRB-approved retrospective case–control study were 56 patients with asymptomatic sHPT as well as 259 matched controls without SIJ disease. Demographic data were retrieved from electronic patient records. High-resolution computed tomography datasets of all patients were subjected to a structured scoring, including erosions, sclerosis, osteophytes, joint space alterations and intraarticular calcifications. Chi2 tests were used to compare frequencies of lesions. Erosions were significantly more prevalent in patients with sHPT, and were found mainly in the ventral (28.6% vs. 13.9%; p = 0.016) and middle (17.9% vs. 7.7%; p = 0.040) iliac portions of the SIJ. Partial ankylosis was rare in both cohorts (3.6% vs. 5.0%; p > 0.999); complete ankylosis was not observed. Neither extent not prevalence of sclerosis or calcifications differed significantly between groups. Joint lesions reminiscent of sacroiliitis can be found in a substantial portion of asymptomatic patients with secondary hyperparathyroidism. Further investigations into the clinical significance of these findings are warranted.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#33

 

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Description Allelopathy means that one plant produces chemical substances to affect the growth and development of other plants. Usually, allelochemicals can stimulate or inhibit the germination and growth of plants, which have been considered as potential strategy for drug development of environmentally friendly biological herbicides. Obviously, the discovery of plant materials with extensive sources, low cost and markedly allelopathic effect will have far-reaching ecological impacts as the biological herbicide. At present, a large number of researches have already reported that certain plant-derived allelochemicals can inhibit weed growth. In this study, the allelopathic effect of Artemisia argyi was investigated via a series of laboratory experiments and field trial. Firstly, water-soluble extracts exhibited the strongest allelopathic inhibitory effects on various plants under incubator conditions, after the different extracts authenticated by UPLC-Q-TOF-MS. Then, the allelopathic effect of the A. argyi was systematacially evaluated on the seed germination and growth of Brassica pekinensis, Lactuca sativa, Oryza sativa, Portulaca oleracea, Oxalis corniculata and Setaria viridis in pot experiments, it suggested that the A. argyi could inhibit both dicotyledons and monocotyledons not only by seed germination but also by seedling growth. Furthermore, field trial showed that the A. argyi significantly inhibited the growth of weeds in Chrysanthemum morifolium field with no adverse effect on the growth of C. morifolium. At last, RNA-Seq analysis and key gene detection analysis indicated that A.argyi inhibited the germination and growth of weed via multi-targets and multi-paths while the inhibiting of chlorophyll synthesis of target plants was one of the key mechanisms. In summary, the A. argyi was confirmed as a potential raw material for the development of preventive herbicides against various weeds in this research. Importantly, this discovery maybe provide scientific evidence for the research and development of environmentally friendly herbicides in the future.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#34

 

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Description The brain functions can be reversibly modulated by the action of general anesthetics. Despite a wide number of pharmacological studies, an extensive analysis of the cellular determinants of anesthesia at the microcircuits level is still missing. Here, by combining patch-clamp recordings and mathematical modeling, we examined the impact of sevoflurane, a general anesthetic widely employed in the clinical practice, on neuronal communication. The cerebellar microcircuit was used as a benchmark to analyze the action mechanisms of sevoflurane while a biologically realistic mathematical model was employed to explore at fine grain the molecular targets of anesthetic analyzing its impact on neuronal activity. The sevoflurane altered neurotransmission by strongly increasing GABAergic inhibition while decreasing glutamatergic NMDA activity. These changes caused a notable reduction of spike discharge in cerebellar granule cells (GrCs) following repetitive activation by excitatory mossy fibers (mfs). Unexpectedly, sevoflurane altered GrCs intrinsic excitability promoting action potential generation. Computational modelling revealed that this effect was triggered by an acceleration of persistent sodium current kinetics and by an increase in voltage dependent potassium current conductance. The overall effect was a reduced variability of GrCs responses elicited by mfs supporting the idea that sevoflurane shapes neuronal communication without silencing neural circuits.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#35

 

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Description Previously, isolated caudate lobectomy was rarely performed and the caudate lobe was usually resected along with other segments. Isolated caudate lobe resection is a challenging procedure even for an experienced surgeon. Our aim was to evaluate the feasibility, safety and outcomes of laparoscopic isolated caudate lobectomy and to compare these with the open technique. We retrospectively analyzed 21 patients who underwent isolated caudate lobectomy between January 2005 and December 2018 at Seoul National University Bundang Hospital. Patients who underwent either anatomical or non-anatomical resection of the caudate lobe were included. Patients were divided into two groups according to whether they underwent laparoscopic or open surgery. Intra-operative and postoperative outcomes were compared with a median follow-up of 43 months (4–149). A total of 21 patients were included in the study. Of these, 12 (57.14%) underwent laparoscopic and nine (42.85%) underwent open caudate lobectomy. Median operation time (204.5 vs. 200 minutes, p = 0.397), estimated blood loss (250 vs. 400 ml, p = 0.214) and hospital stay (4 vs. 7 days, p = 0.298) were comparable between laparoscopy and open group. The overall post operative complication rate was similar in both groups (p = 0.375). The 5-year disease free survival rate (42.9% vs 60.0%, p = 0.700) and the 5-year overall survival rate (76.2% vs 64.8%, p = 0.145) was similar between laparoscopy and open group. Our findings demonstrate that with increasing surgical expertise and technological advances, laparoscopic isolated caudate lobectomy can become a feasible and safe in selected patients.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#36

 

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Description The demand for popular natural health products (NHPs) such as Black Cohosh is increasing considerably, which in turn challenges quality assurance (QA) throughout the supply chain. To detect and quantify the target species present in a given NHP, DNA-based molecular techniques such as Real-time quantitative PCR (qPCR) and digital PCR (dPCR) are standard tools in the food and pathogen testing industries. There is a gap in the literature concerning validated quantitative PCR methods for botanicals that can be utilized for QA and good manufacturing practices. The objective of this study is to develop an efficient quantification method using qPCR and dPCR techniques for the detection and quantification of Actaea racemosa (Black cohosh) NHPs from its potential adulterants. These developed methods are validated for applicability on commercial NHPs. Species-specific hydrolysis probe assays were designed to analyze the black cohosh NHPs using qPCR and dPCR techniques. The results confirmed that the developed qPCR and dPCR methods are highly precise for identifying and quantifying black cohosh NHPs, indicating their potential applicability in future routine industrial and laboratory testing. This enables a single qPCR test to determine not only the presence of a specific botanical, but also the amount when mixed with an adulterant.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#37

 

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Description This study provides evidence that membrane lipids are important in regulating the dynamics of the bacterial mechanosensitive channel MscS in response to changes in membrane tension.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#38

 

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Description Understanding and quantifying the uncertainty of predictions from COVID-19 pandemic models is essential to inform public health decision making. This issue presents one such examination using the influential CovidSim model.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#39

 

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Name
Description

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#40

 

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Name
Description The identification of genes that are associated with developmental trajectories of cells is an important focus in single-cell transcriptomics. This issue presents Scellnetor, a resource that facilitates this task.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#41

 

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Name
Description TBD

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#42

 

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Name
Description Analyzing the mountains of data generated by the Large Hadron Collider at the European laboratory CERN takes so much time that even the computers need coffee. Or rather, Coffea—Columnar Object Framework for Effective Analysis.

#Theoretical sciences
Field # Theoretical sciences
Updated 22 February 2021

#43

 

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Name
Description TBD

#Theoretical sciences
Field # Theoretical sciences
Updated 21 February 2021

#44

 

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Name
Description TBD

#Theoretical sciences
Field # Theoretical sciences
Updated 20 February 2021

#45

 

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Name
Description Pyridine alkaloids produced in tobacco can react with nitrosating agents such as nitrite to form tobacco-specific nitrosamines (TSNA), which are among the most notable toxicants present in tobacco smoke. The market type known as burley tobacco is particularly susceptible to TSNA formation because its corresponding cultivars exhibit a nitrogen-use-deficiency phenotype which results in high accumulation of nitrate, which, in turn, is converted to nitrite by leaf surface microbes. We have previously shown that expression of a constitutively activated nitrate reductase (NR) enzyme dramatically decreases leaf nitrate levels in burley tobacco, resulting in substantial TSNA reductions without altering the alkaloid profile. Here, we show that plants expressing a constitutively active NR construct, designated 35S:S523D-NR, display an early-flowering phenotype that is also associated with a substantial reduction in plant biomass. We hypothesized that crossing 35S:S523D-NR tobaccos with burley cultivars that flower later than normal would help mitigate the undesirable early-flowering/reduced-biomass traits while maintaining the desirable low-nitrate/TSNA phenotype. To test this, 35S:S523D-NR plants were crossed with two late-flowering cultivars, NC 775 and NC 645WZ. In both cases, the plant biomass at harvest was restored to levels similar to those in the original cultivar used for transformation while the low-nitrate/TSNA trait was maintained. Interestingly, the mechanism by which yield was restored differed markedly between the two crosses. Biomass restoration in F1 hybrids using NC 645WZ as a parent was associated with delayed flowering, as originally hypothesized. Unexpectedly, however, crosses with NC 775 displayed enhanced biomass despite maintaining the early-flowering trait of the 35S:S523D-NR parent.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#46

 

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Name
Description In this study, neodymium and arsenic were sealed into industrial pure iron cylinders at a temperature of 1223 K for 50 h. The interaction mechanism of the Nd–Fe–As system at various atomic ratios was investigated by optical microscopy, X-ray diffractometry, and scanning electron microscopy. Binary compounds Fe12As5, NdAs, Fe2As, and Fe17Nd2 were the main products formed, with traces of NdFeAs compounds. In addition, at high temperatures, As content affected the diffusion of Fe atoms; the diffusion of Fe increased with an increase in the atomic ratio. Furthermore, the diffusion ability of Nd was weaker than that of As. The major diffusion mechanism of Nd was through the Fe atomic vacancy mechanism. As mainly bind to Fe to form Fe and As compounds. The formation of ternary compounds was confirmed by laboratory experiments and mismatch calculations.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#47

 

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Name
Description A tomography system is installed as one of the diagnostics of new age to examine the three-dimensional characteristics of structure and dynamics including fluctuations of a linear magnetized helicon plasma. The system is composed of three sets of tomography components located at different axial positions. Each tomography component can measure the two-dimensional emission profile over the entire cross-section of plasma at different axial positions in a sufficient temporal scale to detect the fluctuations. The four-dimensional measurement including time and space successfully obtains the following three results that have never been found without three-dimensional measurement: (1) in the production phase, the plasma front propagates from the antenna toward the end plate with an ion acoustic velocity. (2) In the steady state, the plasma emission profile is inhomogeneous, and decreases along the axial direction in the presence of the azimuthal asymmetry. Furthermore, (3) in the steady state, the fluctuations should originate from a particular axial position located downward from the helicon antenna.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#48

 

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Name
Description Until now, the reported diversity of representatives from the genus Hantzschia inhabiting soils from different parts of Eurasia was limited to the few species H. amphioxys, H. elongata and H. vivax and some of their infraspecific taxa. We have studied the morphology, ultrastructure and phylogeny of 25 soil diatom strains, which according to published description would be assigned to “H. amphioxys sensu lato” using 18S rDNA, 28S rDNA and rbcL. We show that strains are made up of seven different species of Hantzschia, including five new for science. Five strains were identified as H. abundans. This species has a slight curvature of the raphe near its external proximal ends. Four of the examined strains were represented by different populations of H. amphioxys and their morphological characteristics fully correspond with its isolectotype and epitype. The main specific features of this species include 21–25 striae in 10 μm, 6–11 fibulae in 10 μm, 40–50 areolae in 10 μm and internal proximal raphe endings bent in opposite directions. H. attractiva sp. nov., H. belgica sp. nov., H. parva sp. nov., H. pseudomongolica sp. nov. and H. stepposa sp. nov. were described based on differences in the shape of the valves, significant differences in dimensions, a lower number of striae and areolae in 10 μm and the degree and direction of deflection of the internal central raphe endings. Based on the study of the morphological variability and phylogeny of soil Hantzschia-species from different geographical locations we conclude that while some species such as H. amphioxys are truly cosmopolitan in their distributions, some sympatric populations of pseudocryptic taxa exist in the Holarctic.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#49

 

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Name
Description The synthesis of phytol-derived γ-butyrolactones as well as their evaluation for deterrent activity towards peach-potato aphid Myzus persicae and antiproliferative activity against four selected cancer cell lines are reported. Products were obtained in good yields (19–96%) and their structures were fully characterized by spectroscopic data (NMR, HRMS). Four synthesized δ-halo-γ-lactones (4–7) are new and have not been previously described in the literature. In the choice test phytol (1) appeared deterrent to M. persicae, whereas modifications of its structure did not cause the avoidance of the treated leaves by the aphids. In contrast, aphids were attracted to the leaves treated with the new trans-δ-chloro-γ-lactone (6). Electrical Penetration Graph (EPG) technique applied to explore the aphid probing and feeding activity revealed that neither phytol nor lactone 6 affected aphid probing and the consumption of phloem sap, which means that both phytol and the lactone 6 might have acted as postingestive modifiers of aphid behavior. The results of in vitro antitumor assays showed that obtained phytol derivatives exhibit cytotoxic activity against studied cancer cell lines (leukemia, lung and colon carcinoma and its doxorubicin resistant subline). Halolactones 4–6 were identified as the compounds, which arrest cell cycle of leukemia cells mainly in G2/M and S phases.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#50

 

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Name
Description Producing industrially significant compounds with more environmentally friendly represents a challenging task. The large-scale production of an exogenous molecule in a host microfactory can quickly cause toxic effects, forcing the cell to inhibit production to survive. The key point to counter these toxic effects is to promote a gain of tolerance in the host, for instance, by inducing a constant flux of the neo-synthetized compound out of the producing cells. Efflux pumps are membrane proteins that constitute the most powerful mechanism to release molecules out of cells. We propose here a new biological model, Deinococcus geothermalis, organism known for its ability to survive hostile environment; with the aim of coupling the promising industrial potential of this species with that of heterologous efflux pumps to promote engineering tolerance. In this study, clones of D. geothermalis containing various genes encoding chromosomal heterologous efflux pumps were generated. Resistant recombinants were selected using antibiotic susceptibility tests to screen promising candidates. We then developed a method to determine the efflux efficiency of the best candidate, which contains the gene encoding the MdfA of Salmonella enterica serovar Choleraesuis. We observe 1.6 times more compound in the external medium of the hit recombinant than that of the WT at early incubation time. The data presented here will contribute to better understanding of the parameters required for efficient production in D. geothermalis.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#51

 

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Name
Description This study shows that gut fungi, in particular Candida albicans, induce the production of systemic antifungal antibodies, which can provide protection against systemic fungal infections.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#52

 

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Name
Description This study reveals that Toxoplasma gondii maintains a replicative niche in neutrophils by extending their longevity through inhibition of apoptosis. This effect occurs by upregulation of PCNA expression, resulting in inhibition of caspase cleavage and activation.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#53

 

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Name
Description Mass spectrometry enables high-throughput screening of phosphoproteins across a broad range of biological contexts. When complemented by computational algorithms, phospho-proteomic data allows the inference of kinase activity, facilitating the identification of dysregulated kinases in various diseases including cancer, Alzheimer’s disease and Parkinson’s disease. To enhance the reliability of kinase activity inference, we present a network-based framework, RoKAI, that integrates various sources of functional information to capture coordinated changes in signaling. Through computational experiments, we show that phosphorylation of sites in the functional neighborhood of a kinase are significantly predictive of its activity. The incorporation of this knowledge in RoKAI consistently enhances the accuracy of kinase activity inference methods while making them more robust to missing annotations and quantifications. This enables the identification of understudied kinases and will likely lead to the development of novel kinase inhibitors for targeted therapy of many diseases. RoKAI is available as web-based tool at http://rokai.io . Kinases drive fundamental changes in cell state, but predicting kinase activity based on substrate-level changes can be challenging. Here the authors introduce a computational framework that utilizes similarities between substrates to robustly infer kinase activity.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#54

 

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Name
Description Quantum sensing exploits the strong sensitivity of quantum systems to measure small external signals. The nitrogen-vacancy (NV) center in diamond is one of the most promising platforms for real-world quantum sensing applications, predominantly used as a magnetometer. However, its magnetic field sensitivity vanishes when a bias magnetic field acts perpendicular to the NV axis. Here, we introduce a different sensing strategy assisted by the nitrogen nuclear spin that uses the entanglement between the electron and nuclear spins to restore the magnetic field sensitivity. This, in turn, allows us to detect small changes in the magnetic field angle relative to the NV axis. Furthermore, based on the same underlying principle, we show that the NV coupling strength to magnetic noise, and hence its coherence time, exhibits a strong asymmetric angle dependence. This allows us to uncover the directional properties of the local magnetic environment and to realize maximal decoupling from anisotropic noise.

#Theoretical sciences;#Hardware & Devices
Field # Theoretical sciences
Updated 19 February 2021

#55

 

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Name
Description Metal carbene is an active synthetic intermediate, which has shown versatile applications in synthetic chemistry. Although a variety of catalytic methods have been disclosed for the generation of carbene species from different precursors, there is an increasing demand for the development of efficient and practical approaches for the in-situ formation of metal carbene intermediates with structural diversity and unrevealed reactivity. Herein we report a gold-catalyzed cascade protocol for the assembly of polycarbocyclic frameworks in high yields under mild reaction conditions. Mechanistic studies indicate that the unique β-aryl gold-carbene species, generated via gold-promoted 6-endo-dig diazo-yne cyclization, is the key intermediate in this reaction, followed by a [4 + 2]-cycloaddition with external alkenes. In comparison to the well-documented metal carbene cycloadditions, this carbene intermediate serves as a 4-C synthon in a cycloaddition reaction. A variety of elusive π-conjugated polycyclic hydrocarbons (CPHs) with multiple substituents are readily accessible from the initially generated products by a mild oxidation procedure. Metal carbene is usually employed as a 1-carbon synthon or 3-carbon synthon in a variety of cycloaddition reactions. Here, the authors report a gold-catalyzed cascade protocol for the assembly of polycarbocyclic frameworks via a β-aryl gold-carbene intermediate which reacts as a 4-carbon synthon with alkenes in [4 + 2]-cycloadditions.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#56

 

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Name
Description

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#57

 

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Name
Description To evaluate longitudinal endothelial cell characteristics of children with posterior polymorphous corneal dystrophy (PPCD). In this prospective case-control study, children with PPCD were followed with slit-lamp photography and non-contact specular microscopy. Patient’s eyes were subdivided according to the clinical subtypes of PPCD (vesicular, band, diffuse, and unaffected) and the number of lesions present on the posterior corneal surface. Findings were then compared with age-matched controls. Thirty eyes of 15 patients with PPCD with a mean age 10.5 ± 3.1 years were analysed. Mean follow-up was 3.0 ± 1.0 years. PPCD morphology was vesicular in 40%, diffuse in 37%, band type in 10% and 13% had no detectable lesions despite contralateral involvement. Fourteen eyes (47%) had ≥5 endothelial lesions. Patients with PPCD had significantly lower endothelial cell densities (ECD) at recruitment (1918.9 ± 666.3 vs. 3340.1 ± 286.5 cells/mm2, p < 0.007) and at final follow-up (1793.1 ± 684.6 vs. 3265.2 ± 304.3 cells/mm2, p < 0.007) compared to age-matched controls. The lowest ECDs were found in eyes with diffuse type PPCD and those with ≥5 posterior corneal lesions, while clinically unaffected eyes in patients with confirmed PPCD in fellow eye had a normal ECD. However, the rates of annual ECD decline were not significantly different between eyes with PPCD in general, between the subgroups of PPCD and the normative groups. Endothelial cell density is significantly reduced among children with PPCD and depends on the clinical subtype and the number of posterior corneal lesions present. However, annual ECD loss is similar between normal eyes and those with PPCD.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#58

 

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Name
Description

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#59

 

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Name
Description Family-centered care (FCC) has become the normative practice in Neonatal ICUs across North America. Over the past 25 years, it has grown to impact clinician-parent collaborations broadly within children’s hospitals as well as in the NICU and shaped their very culture. In the current COVID-19 pandemic, the gains made over the past decades have been challenged by “visitor” policies that have been implemented, making it difficult in many instances for more than one parent to be present and truly incorporated as members of their baby’s team. Difficult access, interrupted bonding, and confusing messaging and information about what to expect for their newborn can still cause them stress. Similarly, NICU staff have experienced moral distress. In this perspective piece, we review those characteristics of FCC that have been disrupted or lost, and the many facets of rebuilding that are presently required.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#60

 

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Name
Description Synthetic metabolic pathways that circumvent photorespiration can improve crop growth. Now, an efficient photorespiration bypass with a new-to-nature carboxylation step has been engineered and demonstrated in vitro.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#61

 

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Name
Description This study shows that one mechanism of immune evasion used by Staphylococcus aureus involves a virulence factor, SpA, which can block complement activation by inhibiting IgG oligomerization.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#62

 

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Name
Description

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#63

 

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Name
Description Extensive research efforts have been devoted to development of catalytic oxidation manifolds based on molecular oxygen. Now, an unconventional approach for oxygenation of organic sulfides by this abundant oxidant is introduced by merging nickel catalysis with electrochemistry.

#Theoretical sciences
Field # Theoretical sciences
Updated 19 February 2021

#64

 

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Name
Description Not all water ice is the same. Locked inside, the arrangement of molecules varies significantly, based on the pressure and temperature conditions under which it forms.

#Theoretical sciences;#Materials
Field # Theoretical sciences
Updated 18 February 2021

#65

 

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Name
Description

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#66

 

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Name
Description

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#67

 

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Name
Description The advanced biomimetic mineralization technology was applied to protect the Botulinum neurotoxin type D, and the processing of the mineralization granule of botulinum toxin type D was successfully screened. The loss of activity of the toxin protein at different temperatures and the destructive strength of the gastrointestinal tract against the toxin were determined biologically. The lethal toxicity of the mineralized toxin to wild rodents was determined by median lethal dose. Protective tests at different temperatures showed that the preservation period of botulinum toxin type D mineralized sample 2 was significantly higher than that of the control group at three different temperatures, and its toxicity loss was significantly reduced. The damage intensity of the mineralized toxin to the gastrointestinal contents of plateau zokor and plateau pika was significantly reduced. The minimum lethal doses of the mineralized toxin particles to plateau zokor, plateau pika, and mice were 5200, 8,600,000, and 25,000 MLD/kg. These results showed that biomimetic mineralization could greatly improve the thermal stability of botulinum toxin type D and reduce the damaging effect of the gastrointestinal contents of target animals to botulinum toxin type D. The mineralized toxin could be used to control the population density of urban rodents. This research provides new insights into the protection of toxin protein substances.

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#68

 

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Name
Description Isw1 and Chd1 are ATP-dependent nucleosome-spacing enzymes required to establish regular arrays of phased nucleosomes near transcription start sites of yeast genes. Cells lacking both Isw1 and Chd1 have extremely disrupted chromatin, with weak phasing, irregular spacing and a propensity to form close-packed dinucleosomes. The Isw1 ATPase subunit occurs in two different remodeling complexes: ISW1a (composed of Isw1 and Ioc3) and ISW1b (composed of Isw1, Ioc2 and Ioc4). The Ioc4 subunit of ISW1b binds preferentially to the H3-K36me3 mark. Here we show that ISW1b is primarily responsible for setting nucleosome spacing and resolving close-packed dinucleosomes, whereas ISW1a plays only a minor role. ISW1b and Chd1 make additive contributions to dinucleosome resolution, such that neither enzyme is capable of resolving all dinucleosomes on its own. Loss of the Set2 H3-K36 methyltransferase partly phenocopies loss of Ioc4, resulting in increased dinucleosome levels with only a weak effect on nucleosome spacing, suggesting that Set2-mediated H3-K36 trimethylation contributes to ISW1b-mediated dinucleosome separation. The H4 tail domain is required for normal nucleosome spacing but not for dinucleosome resolution. We conclude that the nucleosome spacing and dinucleosome resolving activities of ISW1b and Chd1 are critical for normal global chromatin organisation.

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#69

 

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Name
Description The asymmetric one-step net addition of unactivated propargylic C–H bonds to aldehydes leads to an atom-economic construction of versatile chiral homopropargylic alcohols, but has not yet been realized. Here we show its implementation in an intramolecular manner under mild reaction conditions. This chemistry—via cooperative gold catalysis enabled by a chiral bifunctional phosphine ligand—achieves asymmetric catalytic deprotonation of propargylic C–H (pKa > 30) by a tertiary amine group (pKa ≈ 10) of the ligand in the presence of much more acidic aldehydic α-hydrogens (pKa ≈ 17). The reaction exhibits a broad scope and readily accommodates various functional groups. The cyclopentane/cyclohexane-fused homopropargylic alcohol products are formed with excellent enantiomeric excesses and high trans-selectivities with or without a preexisting substrate chiral centre. Density functional theory studies of the reaction support the conceived reaction mechanism and the calculated energetics corroborate the observed stereoselectivity and confirm additional metal–ligand cooperation. Catalytic methods for asymmetric functionalization of unactivated propargylic C–H bonds are scarce. Now, the design of a special ligand for cooperative gold catalysis enables the intramolecular, enantioselective addition of propargylic C–H bonds to aldehyde groups providing chiral cyclopentane/cyclohexane-fused homopropargylic alcohols.

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#70

 

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Name
Description Cobalt Prussian blue analogues (Co-PBA; NaxCo[Fe(CN)6]y), consisting of cyano-bridged transition metal network, –Fe–CN–Co–NC–Fe–, are promising cathode materials for Na-ion secondary batteries. In the oxidation process, oxidization of Fe and/or Co are compensated by Na+ deintercalation. Here, we investigated the oxidization process of three Co-PBAs by means of in situ infrared absorption (IR) spectroscopy. With use of an empirical rule of the frequencies of the CN− stretching mode in ferrocyanide ([FeII(CN)6]4−) and ferricyanide ([FeIII(CN)6]3−), the oxidation processes of Co-PBAs were determined against the Fe concentration (y) and temperature (T). We will discuss the interrelation between the oxidation processes and Fe concentration (y).

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#71

 

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Name
Description Herein, Tilia sp. bract leachate was used as the reducing agent for Au nanoparticles (Au NPs) phytosynthesis. The colloidal properties of the prepared Au NPs were determined to confirm their stability over time, and the NPs were then used as active catalysts in soman nerve agent degradation. The Au NPs characterisation, reproducibility and stability studies were performed under transmission electron microscopy, ultraviolet visible spectroscopy and with ζ-potential measurements. The reaction kinetics was detected by gas chromatography coupled with mass spectrometry detector and solid-phase micro-extraction to confirm the Au NPs applicability in soman hydrolysis. The ‘green’ phytosynthetic formation of colloidal crystalline Au NPs with dominant quasi-spherical shape and 55 ± 10 nm diameter was successfully achieved, and there were no significant differences in morphology, ζ-potential or absorbance values observed during the 5-week period. This verified the prepared colloids’ long-term stability. The soman nerve agent was degraded to non-toxic substances within 24 h, with 0.2156 h−1 reaction rate constant. These results confirmed bio-nanotechnology’s great potential in preparation of stable and functional nanocatalysts for degradation of hazardous substances, including chemical warfare agents.

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#72

 

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Name
Description Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#73

 

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Name
Description TBD

#Theoretical sciences;#Materials
Field # Theoretical sciences
Updated 18 February 2021

#74

 

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Name
Description So far, unconditional security in key distribution processes has been confined to quantum key distribution (QKD) protocols based on the no-cloning theorem of nonorthogonal bases. Recently, a completely different approach, the unconditionally secured classical key distribution (USCKD), has been proposed for unconditional security in the purely classical regime. Unlike QKD, both classical channels and orthogonal bases are key ingredients in USCKD, where unconditional security is provided by deterministic randomness via path superposition-based reversible unitary transformations in a coupled Mach–Zehnder interferometer. Here, the first experimental demonstration of the USCKD protocol is presented.

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021

#75

 

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Name
Description Biofluorescence has been detected in several nocturnal-crepuscular organisms from invertebrates to birds and mammals. Biofluorescence in mammals has been detected across the phylogeny, including the monotreme duck-billed platypus (Ornithorhyncus anatinus), marsupial opossums (Didelphidae), and New World placental flying squirrels (Gluacomys spp.). Here, we document vivid biofluorescence of springhare (Pedetidae) in both museum specimens and captive individuals—the first documented biofluorescence of an Old World placental mammal. We explore the variation in biofluorescence across our sample and characterize its physical and chemical properties. The striking visual patterning and intensity of color shift was unique relative to biofluorescence found in other mammals. We establish that biofluorescence in springhare likely originates within the cuticle of the hair fiber and emanates, at least partially, from several fluorescent porphyrins and potentially one unassigned molecule absent from our standard porphyrin mixture. This discovery further supports the hypothesis that biofluorescence may be ecologically important for nocturnal-crepuscular mammals and suggests that it may be more broadly distributed throughout Mammalia than previously thought.

#Theoretical sciences
Field # Theoretical sciences
Updated 18 February 2021