bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cord and Maternal Blood Essential and Toxic Elements Levels in Occupationally Exposed Pregnant Women - Possible Implications in Asd Aetiogenesis
Authors: OMOTOSHO ISHIAQ , Akinade Olufunke 
Published: July 2021

Abstract
Background: Incidence of Autism Spectrum Disorders (ASD) in children as a neurodevelopmental abnormality is growing. Compounded by equivocal deductions from several genetic and environmental studies aimed at establishing its aetiology, it is becoming a global medical challenge. This work investigated placental transfer of some micronutrients (Cu, Zn, Ca, Mg, Se) and toxic (Cd, Pb) metals in occupationally vulnerable pregnant mothers as possible basis of neurodevelopmental abnormalities in children with ASD. Method: 105 third trimester pregnant women comprising 50 occupationally exposed (cases) (27.68±5.57 years) and 55 non-occupationally exposed age-matched pregnant women (28.84±5.37 years) (controls) were recruited by convenient sampling method for this study. Blood (including cord blood) was collected from all participants. Trace and toxic elements levels were determined in the blood samples using Induction-Coupled Plasma-Mass Spectroscopy; anthropometric and sociodemographic data of the women along with the developmental milestone indices of the baby at infancy were also recorded.Results: Levels of trace elements were 328.02±109.99mg/L, 370.82±192.97umol/L, 8.61±0.89mg/dl, 1.52±0.26mg/dl and 10.17±1.22mg/L; 348.27±150.61mg/L, 416.80±276.73umol/L, 8.61±0.86mg/dl, 1.46±0.35mg/dl and 8.96±1.15 mg/L for Cu, Zn, Ca, Mg and Se in cases and controls respectively. The differences were not significant. Less than 10% of participants samples (maternal and cord blood) had detectable toxic metal levels. However, cord blood trace elements concentrations were 125.07±24.66mg/l, 525.38±45.86umol/L, 8.44±0.15mg/dl, 1.51±0.31mg/dl and 7.02±0.72mg/dl in cases and 91.05±13.27mg/l, 591.22±44.62umol/l, 1.63±0.15mg/dl and 8.19±0.78mg/L in control for Cu, Zn, Ca, Mg and Se respectively. Only cord blood Mg level was significantly different (p=0.013). Baby weight and head circumferences also correlated significantly with cord Zn and Cu levels (r=0.293, p=0.039), (r=0.478, p=0.010) respectively. Discussion: The observed downregulation of Mg and Se may have initiated a prooxidant reaction of the upregulated Cu in the foetus overwhelming the protective effects of Zn in scavenging the ROS produced by the combined effects of Cu and the toxic metals to which the cases were occupationally exposed. Our hypothesis is that given the role of Se, Cu and Mg in neurodevelopment, this may be the basis of the abnormal developmental milestones characteristic of ASD. Conclusion: The need to monitor environmental exposure in pregnancy may be an imperative step in stemming the growing incidence of neurodevelopmental disorders in this environment.
Influence of Deep Learning Image Reconstruction (DLIR) and Adaptive Statistical Iterative Reconstruction-V (ASIR-V) on Coronary Artery Calcium Quantification
Authors: Wang Yiran , Zhan Hefeng , Wu Wenjie , Liu Jie , Gao Jianbo , Guo Ying , Zhang Yonggao 
Published: July 2021

Abstract
Deep learning image reconstruction (DLIR) and Adaptive Statistical Iterative Reconstruction-V (ASIR-V) has been used for cardiac computed tomography imaging. However, DLIR and ASIR-V may influence the quantification of coronary artery calcification. This study aimed to investigate the effects of DLIR and ASIR-V on coronary calcium quantification compared to traditional filtered back projection (FBP). CT images of 96 patients were reconstructed by FBP, ASIR-V 50%, and three levels of DLIR (low [L], medium [M], and high [H], respectively). Image noise decreased significantly with ASIR-V 50% and increasing DLIR levels from L to H in comparison with FBP (all P < 0.001). There is a significantly decline with ASIR-V 50% and incremental DLIR levels in Agatston calcium score, volume score and mass score as compared to FBP (all P < 0.001). For all CAC score risk categories, Severity classification shows no significant differences among five reconstructions (all P > 0.05). DLIR-L has the minimal effect on coronary calcium quantification as compared to ASIR-V and DLIR at medium and high levels. it may be considered as an alternative to FBP for routine clinical use.
Effect of Minor Amount of Sc on the Thermomechanical Treatment of Al-Zn-Mg-Cu-Zr Alloy
Authors: Kheradmand Azam Beigi , Mirdamadi Shamseddin , Lalegani Zahra 
Published: July 2021

Abstract
In this study, mechanical and microstructural properties of Al-Zn-Mg-Cu-Zr cast alloy with 0.1% Sc under homogeneous, dissolution, and T6 and thermomechanical treatments with the aim of increasing the volume fraction of MgZn2 and Al3(Sc,Zr) reinforcing sediments were examined by hardness, microscopic examinations and tensile tests and software analysis. The results showed that firstly, the hardness results are well proportional to the results of tensile properties of alloys and secondly, the strength of the alloy with thermomechanical treatments compared to T6 treatments increased from 492 MPa to 620 MPa and the elongation increased from 8% to 17% and 100 % upgraded. Microstructural investigation and fracture cross section showed that Al3(Sc,Zr) nanoparticles were evenly distributed among MgZn2 particles and the alloy fracture was of semi-ductile type and in the fracture section nanoparticles less than 10 nm were observed at the end of the dimples. Also, the volume fraction of nanoparticles in the whole microstructure of thermomechanical treatment samples was much higher than that of T6 heat treated samples, so that the percentage of Al3(Sc,Zr) sediments from less than 1% in T6 operation to 8.28% in quench-controlled thermomechanical operation (with 50% deformation) has arrived. QI index in thermomechanical treatment samples is 19% higher than T6 samples, so that this index has increased from 641 in T6 operation to 760 in samples under thermomechanical treatment due to sediment morphology, volume fraction of sediments, their uniform distribution in the matrix, and nano sized sediments in samples under thermomechanical treatment.
Polyoxometallic chemistry towards all-in-one layered double hydroxides for boosting oxygen evolution electrocatalysis
Authors: Cai Zhengyang , Wang Ping , Yan Ya , Zhang Jiangwei , Wang Xianying 
Published: July 2021

Abstract
Nickel-iron based layered double hydroxides (NiFe LDH) have attracted tremendous research and industrial interests for oxygen evolution reaction electrocatalysis (OER). However, methodologies on simultaneous multi-regulations remain scarce. Herein, we report a versatile polyoxometallic acids (POMs) etching approach for ingeniously designing NiFe LDH, including morphological nanolayers tailoring, reconfiguration of Fe3+ and α-Ni(OH)2 active species, creating multiple vacancies of Ni, Fe and O and manufacturing interlayered POM polyanionic clusters as surface kinetic accelerators. Our experimental and theoretical data reveal that the key influencing factors are simultaneously controlled, resulting in synergistical enhancement with electrocatalytic OER activity of η10 = 206 mV, stability (negligible change of η500 for 24 h), and turnover frequency value (TOFFe, mol) of 2.03 s− 1. To elucidate the evolution, we derive an empirical formula to quantitatively identifying the key performance-determining factors, coinciding with the work and most of literature data. The expression offers an opportunity for first and fast reliability on materials screening. Moreover, the electrocatalyst is further produced on a large scale with low cost and high performance, demonstrating its feasibility of promising configuration of NiFe LDH-PMo12(+) ‖ Ni@NiFe LDH(-) for practical anion-exchange membrane (AEM)-electrode-stack cells water electrolysis.
Impact of High-Dose Intravenous Vitamin C on Cell-Free DNA and Syndecan-1 in Patients with Sepsis-Associated ARDS
Authors: Kashiouris Markos G. 
Published: July 2021

Abstract
Background:We set out to examine the effects of high dosage intravenous vitamin C (HDIVC) infusion on plasma cell-free DNA and Syndecan-1, two mortality biomarkers that represent neutrophil extracellular trap (NET) formation and degradation of the endothelial glycocalyx.Methods: Post-hoc analysis of plasma cell-free DNA and syndecan-1 in patients enrolled in the randomized placebo-controlled trial: Vitamin C Infusion for Treatment in Sepsis-Induced Acute Lung Injury, the CITRIS-ALI trial. Setting: Seven intensive care units in hospitals located in five different states in the U.S. Patients: Septic adults with ARDS between September 2014 to November 2017, final follow-up January 2018.Results: In 167 study patients, baseline plasma cfDNA levels in HDIVC (84 patients) and placebo (83 patients) were 2.18 ng/µL (SD 4.20 ng/µL) and 2.65 ng/µL (SD 3.87 ng/µL), respectively, p=0.45. At 48-hours, the cfDNA reduction was 1.02 ng/µL greater in HDIVC, compared to placebo, p=0.05. Mean baseline plasma syndecan-1 levels in HDIVC and placebo were 9.49 ng/mL (SD 5.57 ng/mL) and 10.83 ng/mL (SD 5.95 ng/mL) respectively, p=0.14. At 48 hours, patients in the placebo arm exhibited a 1.53 ng/mL (95% CI, 0.96 to 2.11) increase in syndecan-1 vs. 0.75 ng/mL (95% CI, 0.21 to 1.29), in HDIVC patients, p=0.05. The 48-hour plasma syndecan-1 levels in patients treated with HDIVC exhibited a linear association with improved oxygenation (PaO2/FiO2, beta= -18.9, p=0.004).Conclusions:HDIVC infusion significantly attenuated plasma cell-free DNA and syndecan-1, biomarkers known to be elevated in sepsis-induced ARDS. These results support the conclusion that high dosage intravenous vitamin C infusion reduces sepsis-induced vascular injury.Trial Registration: ClinicalTrials.gov identifier: NCT02106975
Identifying mechanisms behind HIV drug resistance in Sub-Saharan Africa: a systems approach
Authors: Kiekens Anneleen , de Casterlé Bernadette Dierckx , Pellizzer Giampietro , Mosha Idda , Mosha Fausta , de Wit Tobias Rinke , Sangeda Raphael , Surian Alessio , Vandaele Nico , Vranken Liesbet , Killewo Japhet , Jordan Michael , Vandamme Anne-Mieke 
Published: July 2021

Abstract
IntroductionHIV drug resistance (HIVDR) continues to threaten the effectiveness of worldwide antiretroviral therapy (ART). Emergence and transmission of HIVDR is driven by several interconnected factors. Though much has been done to uncover factors influencing HIVDR, overall interconnectedness between these factors remain unclear and African policy makers encounter difficulties setting priorities combating HIVDR. By employing a systems approach, involving multi-disciplinary HIVDR experts, we aimed to gain a deeper understanding of key determinants and their interactions driving HIVDR. MethodsWe designed a detailed system map of factors influencing HIVDR based on semi-structured interviews with 15 international HIVDR experts from or with experience in Sub-Saharan Africa. from different disciplinary backgrounds and institutions. The resulting detailed system map was conceptualized into three main HIVDR feedback loops and further strengthened with literature evidence.ResultsFactors influencing HIVDR in SSA and their interactions were sorted in five categories: biology, individual, social context, healthcare system and ‘overarching’. We identified three causal loops cross-cutting these layers, which relate to three interconnected subsystems of mechanisms influencing HIVDR. The ‘adherence motivation’ subsystem consists of opposite forces that ultimately create a balancing loop leading to a different set-point of adherence per individual which may vary over time. The ‘healthcare burden’ subsystem consists of a reinforcing loop leading to an increased HIVDR at local population level. The ‘ART overreliance’ subsystem is a balancing feedback loop leading to complacency among program managers when there is overreliance on ART with a perceived low risk to drug resistance. The three subsystems are interconnected at different levels. ConclusionsInterconnectedness of the three subsystems underlines the need to act on the entire system of factors surrounding HIVDR in Sub-Saharan Africa in order to target interventions and to prevent unwanted effects on other parts of the system.
Model Study of a Single Pile With Varied Configuration in Sand
Authors: Sakr Mohamed A. , Azzam Waseim R. , Kassim Hatem K. 
Published: July 2021

Abstract
In this experimental work, the influence of pile cross-section with varied configurations on the axial compression load capacity of a single pile and related settlement in sand are investigated. The influence of relative sand density (Dr), the pile length to diameter (L/D) ratios and the pile installation techniques are presented. A testing program comprising seven model steel piles with varied shapes of 20 mm width/diameter was conducted. The tests are performed on model piles with the pile length to diameter ratios of 10 and 30 installed in the three cases of sand modeling as loose, medium dense and dense sand. Results indicated that, the rectangular pile is the optimization cross-sectional under the same pile geometry and soil conditions. Also, the increase of the relative sand density has a significant influence on the ultimate compression pile load. Furthermore, the ultimate axial loads of flexible piles in the case of loose sand using the non-displacement method were found to be increased by 119%, 114%, 143%, 82% 139%, 89% and 100% comparing with the ultimate axial loads of rigid piles for the seven models of closed-ended pipe, open-ended pipe, conical base pipe, square closed-ended, square open-ended, tapered and rectangular piles respectively. While, these percentages were found to be increased by (49%, 37%, 26%, 78%, 35%, 71% and 91%) and (77%, 50%, 13%, 116%, 61%, 89% and 85%) in the cases of medium dense and dense sand respectively. The results also indicated that, piles installed in sand using jacking technique have more resistance compared with piles installed in sand using non-displacement technique.
Slight induction and strong inhibition of Heterodera glycines hatching by short-chain molecules released by different plant species
Authors: Velloso Jeanny A. , Campos Vicente P. , Terra Willian C. , Barros Aline F. , Pedroso Márcio P. , Pedroso Luma A. , Paula Letícia L. 
Published: July 2021

Abstract
New management tools are necessary to reduce the damage caused by the soybean cyst nematode (SCN), Heterodera glycines. Identification of molecules that can stimulate second-stage juveniles (J2) hatching in an environment without food may contribute to that. In in vitro experiments, we evaluate the effect of volatile organic compounds (VOCs) released by soybean (Glycine max), bean (Phaseolus vulgaris), ryegrass (Lolium multiflorum), and alfalfa (Medicago sativa) on H. glycines egg hatching. VOCs released by all plant species significantly (p < 0.05) increased egg hatching. Short-chain molecules released by leaves and roots of soybean and bean increased the hatching up to 71.4%. The analysis of the volatilome done by gas chromatography coupled with mass spectrometry revealed 44 compounds in the plant emissions. Four of them, namely 3-octanol, 1-hexanol, hexanal and linalool were tested individually as hatching inductors. Under concentrations of 200, 600, and 1,000 µg/ml there was no hatching induction of H. glycines J2 by these compounds. On the other hand, in these concentrations, the compounds 3-octanol and 1-hexanol caused hatching reduction with values similar to the commercial nematicide carbofuran (2,3-dihydro-2,2-dimethylbenzofuran-7-yl methyl carbamate). In subsequent tests, the compounds 1-hexanol and 3-octanol showed lethal concentration values required to kill 50% of thenematode population (LC50) of 210 and 228 µg/ml, respectively, in the first experiment and, 230 and 124 µg/mlin the second one. Although we have not identified any molecules acting as hatching factor (HF), here we present a list (44 candidate molecules) that can be explored in future studies to find an efficient HF.
Trends in Deep Learning for Property-driven Drug Design
Authors: Born Jannis , Manica Matteo 
Published: July 2021

:
It is more pressing than ever to reduce the time and costs for the development
of lead compounds in the pharmaceutical industry. The co-occurrence of advances in
high-throughput screening and the rise of deep learning (DL) have enabled the development
of large-scale multimodal predictive models for virtual drug screening. Recently,
deep generative models have emerged as a powerful tool to explore the chemical space
and raise hopes to expedite the drug discovery process. Following this progress in chemocentric
approaches for generative chemistry, the next challenge is to build multimodal
conditional generative models that leverage disparate knowledge sources when mapping
biochemical properties to target structures.

:
Here, we call the community to bridge drug discovery more closely with systems biology
when designing deep generative models. Complementing the plethora of reviews on the
role of DL in chemoinformatics, we specifically focus on the interface of predictive and
generative modelling for drug discovery. Through a systematic publication keyword
search on PubMed and a selection of preprint servers (arXiv, biorXiv, chemRxiv, and medRxiv),
we quantify trends in the field and find that molecular graphs and VAEs have become
the most widely adopted molecular representations and architectures in generative
models, respectively. We discuss progress on DL for toxicity, drug-target affinity, and
drug sensitivity prediction and specifically focus on conditional molecular generative
models that encompass multimodal prediction models. Moreover, we outline future
prospects in the field and identify challenges such as the integration of deep learning systems
into experimental workflows in a closed-loop manner or the adoption of federated
machine learning techniques to overcome data sharing barriers. Other challenges include,
but are not limited to interpretability in generative models, more sophisticated metrics for
the evaluation of molecular generative models, and, following up on that, community-accepted
benchmarks for both multimodal drug property prediction and property-driven
molecular design.
Formulation Optimization and In Vitro Characterization of Granisetronloaded
Polylactic-co-glycolic Acid Microspheres Prepared by a
Dropping-in-liquid Emulsification Technique
Authors: Cao Qing-Ri , Ahmed Atef Mohammed Qasem , Chen Li-Qing , Du Huan-Huan , Sun Wei 
Published: July 2021

Purpose:
Traditional dosage forms of granisetron (GRN) decrease patient compliance associated
with repeated drug administration because of the short half-life of the drug.

Methods:
In this study, novel GRN-loaded Polylactic-co-glycolic Acid (PLGA) sustained-release
microspheres were prepared for the first time via a dropping-in-liquid emulsification technique.
The effects of various factors, such as pH of the outer phase, Tween 80, Polyvinyl Alcohol (PVA)
concentrations, and hardening process, on the Encapsulation Efficiency (EE), Drug Loading (DL),
and particle size of microspheres were extensively studied. The physicochemical properties, including
drug release, surface morphology, crystallinity, thermal changes, and molecular interactions,
were also studied.

Results:
GRN has a pH-dependent solubility and it exhibits a remarkably high solubility under
acidic condition. The EE of the alkaline medium (pH 8) was higher than that of the acidic medium
(pH 4.0). EE and DL decreased in the presence of Tween 80 in the outer phase, whereas EE significantly
increased during hardening. The particle size of microspheres was not affected by PVA and
Tween 80 concentrations, but it was influenced by PVA volume and hardening. X-ray diffraction
and differential scanning calorimetry results showed that the physical state of the drug changed
from a crystalline form to an amorphous form, thereby confirming that the drug was encapsulated
into the PLGA matrix. Fourier transform-infrared spectroscopy confirmed that some molecular interactions
occurred between the drug and the polymer. GRN-loaded PLGA microspheres showed
sustained release profiles of over 90% on week 3.

Conclusion:
GRN-loaded PLGA microspheres with sustained-release were successfully prepared,
and they exhibited a relatively high EE without Tween 80 as an emulsifier and with the hardening
process.
Novel Adjuvant Therapy with Zinc Supplementation in Neonatal Respiratory Distress Syndrome
Authors: Elfarargy Mohamed Shawky , Al-Ashmawy Ghada M , Abu-Risha Sally , Khattab Haidy 
Published: July 2021

Background:
Neonatal respiratory distress syndrome (RDS) is a common dangerous chest
problem that is caused by a lack of surfactant.

Aim:
The aim of this study was to show the role of zinc as an adjuvant anti-inflammatory therapy
in neonatal RDS.

Objective:
To study the effect of zinc supplementation in cases of neonatal RDS.

Methods:
A prospective randomized controlled trial (RCT) study was done on 90 neonates suffering
from respiratory distress (RD) who had been diagnosed as RDS. The included neonates were
classified into two groups: group 1, which received Zinc (Zn) supplementation, and group 2, which
received a placebo. Down score, grades of RDS Malondialdehyde (MDA), Superoxide Dismutase
(SOD) andInterleukin-8 (IL-8) were estimated on the 1st and 5th day in the presence of incubators.

Results:
There were statistically significant differences (SSD) in grades of RDS, Down score,
MDA, SOD and IL-8 on the 5th day between group 1 and 2(p = 0.001), and between 1st and 5th day
in group 1 (p = 0.001) in the presence of an incubator. There was an SSD between groups 1 and 2
in the duration of hospitalization (p = 0.001) and the number of cases that needed mechanical ventilation
(MV) (p = 0.049).

Conclusion:
Zn supplementation is associated with clinical and laboratory improvement in cases
of neonatal RDS.

Recommendation:
Zn supplementation for RDS neonates.