bluuebunny/crossref_metadata_2025_split huggingface dataset:
Soft threshold partial least squares predicts the survival fraction of malignant glioma cells against different concentrations of methotrexate’s derivatives
Authors: Mehmood Tahir , Iqbal Mudassir 
Published: September 2021

AbstractChemotherapy appeared to be a significant advancement in cancer research, with fewer side effects. Methotrexate (MTX) is a widely used anticancer drug with strong activity but serious side effects. Several MTX derivatives have been reported, with modifications at various sites to reduce side effects and increase efficacy. The current study uses FTIR spectroscopy to predict the survival fraction of human malignant glioma U87 (MG-U87) cell lines against MTX derivatives. Together with Parent MTX several aldehydes viz. Benzaldehyde, Chlorobenzaldehyde, 2-Chlorobenzaldehyde, 3-Nitrobenzaldehyde, 5-Chloro-2-hydroxybenz-aldehyde, 2-Hydroxy-5-Nitrobenzaldehyde, 2-Thiocarboxyaldehyde, Trans-2-pentenal, and Glutaraldehyde are treated with MTX to obtain MTX derivatives. The prediction of survival fraction of malignant glioma cells is carried out by Lasso, Elastic net and Soft PLS at different concentration levels of synthesized derivatives, including 400 μM, 200 μM, 100 μM, 50 μM, 25 μM and 12.5 μM. The cross-validated prediction error is minimised to optimise spectral wavelength selection and model parameters. It appears that the RMSE computed from test data is significantly varying with the change of models (p = 0.012), with the change of concentrations levels (p $$\le 0.001$$≤0.001) and with the change of combination of models and concentration level (p$$\le 0.001$$≤0.001). StPLS outperforms in predicting survival fraction of glioma cells at the concentration level 50 μM, 100 μM and 400 μM respectively with relative RMSE = 0.1,0.14 and 0.55. Lasso outperforms at the concentration level 12.5 μM, and 200 μM respectively with relative RMSE = 0.4 and 0.14. Elastic net outperforms at the concentration level 25 μM with relative RMSE = 0.8. Consistently appeared influential wavelength identifies the influential functional compounds which best predicts the survival fraction. Hence FTIR appears potential candidate for estimating survival fraction of MTX derivatives.
A new carboxypeptidase from Aspergillus niger with good thermostability, pH stability and broad substrate specificity
Authors: Song Peng , Xu Wei , Zhang Yang , Wang Fei , Zhou Xiuling , Shi Haiying , Feng Wei 
Published: September 2021

AbstractA new serine carboxypeptidase gene, capA, was identified in Aspergillus niger CBS 513.88 by reading genomic information and performing sequence alignment, and the gene was cloned and expressed in Pichia pastoris GS115. In a shake flask, the enzyme activity of the recombinant strain GS115 (pPIC9K-capA) reached 209.3 U mg−1. The optimal temperature and pH for enzyme activity were determined to be 45 °C and 6.0, respectively. After incubation at 40–50 °C or at pH 4.0–8.0 for 1 h, the enzyme retained more than 80% or 60% of its initial activity. The presence of 1–10 mmol L−1 Mg2+ enhanced the activity of CapA, whereas 1–10 mmol L−1 Cu2+, Fe2+, or Co2+, 10 mmol L−1 Mn2+, or 1–10 mmol L−1 phenylmethylsulfonyl fluoride (PMSF) significantly inhibited its activity. CapA had a broad substrate specificity and preferred the hydrophobic amino acids Leu and Lys at the C terminus of proteins, and N-benzyloxycarbonyl-l-phenylalanyl-l-leucine (Cbz-Phe-Leu) was the optimal substrate, for which CapA exhibited Km 0.063 mmol L−1 and kcat/Km 186.35 mmol L−1 s−1. The good thermostability, pH stability and hydrolysis characteristics of CapA provide a solid foundation for application in the food and biotechnology fields.
From data to complex network control of airline flight delays
Authors: Niu Xiang , Jiang Chunheng , Gao Jianxi , Korniss Gyorgy , Szymanski Boleslaw K. 
Published: September 2021

AbstractMany critical complex systems and networks are continuously monitored, creating vast volumes of data describing their dynamics. To understand and optimize their performance, we need to discover and formalize their dynamics to enable their control. Here, we introduce a multidisciplinary framework using network science and control theory to accomplish these goals. We demonstrate its use on a meaningful example of a complex network of U.S. domestic passenger airlines aiming to control flight delays. Using the real data on such delays, we build a flight delay network for each airline. Analyzing these networks, we uncover and formalize their dynamics. We use this formalization to design the optimal control for the flight delay networks. The results of applying this control to the ground truth data on flight delays demonstrate the low costs of the optimal control and significant reduction of delay times, while the costs of the delays unabated by control are high. Thus, the introduced here framework benefits the passengers, the airline companies and the airports.
Characterization of SSBP1-related optic atrophy and foveopathy
Authors: Meunier Isabelle , Bocquet Béatrice , Defoort-Dhellemmes Sabine , Smirnov Vasily , Arndt Carl , Picot Marie Christine , Dollfus Hélène , Charif Majida , Audo Isabelle , Huguet Hélèna , Zanlonghi Xavier , Lenaers Guy 
Published: September 2021

AbstractDominant optic atrophy (DOA) is genetically heterogeneous and most commonly caused by mutations in OPA1. To distinguish between the classical OPA1-related and the recently identified SSBP1-related DOAs, the retina and fovea of 27 patients carrying the SSBP1 p.Arg38Gln variant were scrutinized using 20° × 20° macular cube and 30° and 55° field fundus autofluorescence photographs. Age of onset, visual acuity, retinal nerve fiber layer and macular thicknesses were recorded. Three SSBP1-patients were asymptomatic, 10 had isolated DOA, and 12 had a combined DOA plus foveopathy. The foveopathy, with a tiny defect of the ellipsoid and interdigitation lines, was similar in all patients, independent of age. There were no significant statistical differences in terms of visual acuity and SD-OCT measurements between patients with isolated DOA (mean visual acuity in decimals: 0.54 ± 0.41) and those with combined foveopathy (0.50 ± 0.23). Two patients over 50 years of age developed a progressive rod-cone dystrophy, leading to severe visual impairment. SSBP1-related DOA shares similarities with OPA1-related DOA with an incomplete penetrance and an early childhood visual impairment. Nevertheless, the presence of a congenital foveopathy with no impact on visual acuity is a major criterion to distinguish SSBP1 cases and orient the appropriate genetic analysis.
Optimal frequency for magnetic resonant wireless power transfer in conducting medium
Authors: Pham Thanh Son , Nguyen Thao Duy , Tung Bui Son , Khuyen Bui Xuan , Hoang Thu Trang , Ngo Quang Minh , Hiep Le Thi Hong , Lam Vu Dinh 
Published: September 2021

AbstractIn this article, we investigated the efficiency of a magnetic resonant wireless power transfer (MR-WPT) in conducting medium and found out an optimal frequency for designing the system. In conducting environment, the eddy current loss is generated by the high-frequency alternating currents in the coils. It is manifested by increased radiation resistance of resonator coil leads to decrease the quality factor (Q-factor), which reduces the wireless power transfer (WPT) efficiency in conducting medium. The Q-factor of the resonator coil strongly depending on the conductivity, frequency, and thickness of conducting block. Two MR-WPT systems operating at 10.0 MHz and 20.0 MHz are implemented to study the effect of conducting medium on efficiency. The achieved results indicated that the 20.0 MHz system has higher efficiency at a conductivity smaller than 6.0 S/m. However, at the larger conductivity, the 10.0 MHz system is more efficient. The results provide a method to determine the optimal frequency of a WPT system operating in the conducting medium with various conductivities and thickness blocks. This method can be used to design MR-WPT systems in numerous situations, such as autonomous underwater vehicles and medical implants.
Empowerment dimensions and their relationship with continuum care for maternal health in Bangladesh
Authors: Rahman Rushdana , Rahman Mosiur , Haque Syed Emdadul 
Published: September 2021

AbstractOne of the most important approaches to improving the health of mothers and newborns has been the continuum of care (CoC) for maternal health. Women's lack of empowerment may be an obstacle to accessing CoC in male-dominated societies. However, research often defines empowerment narrowly, despite the fact that multiple components of empowerment can play a role. The aim of this study was to look at the relationship between CoC for maternal health and measures of empowerment among Bangladeshi women. The data for this analysis came from the Bangladesh Demographic and Health Survey 2017–2018. The research centered on a subset of 4942 married women of reproductive age who had at least one live birth in the 3 years preceding the survey. Women's empowerment was measured using SWPER Global, a validated measure of women's empowerment for low- and middle-income countries. CoC for maternal health was measured at three stages of pregnancy, pregnancy, delivery, and the postpartum period. To estimate adjusted odds ratios, we specified three-level logistic regression models for our three binary response variables after descriptive analysis. Just 30.5% of mothers completed all phases of the CoC (ANC 4+, SBA, and PNC). After adjusting for individual, household, and community level variables, women with high social independence (adjusted odds ratio [AOR] 1.97; 95% confidence interval [CI] 1.58–2.47) had 97% more ANC 4+ visits, 176% higher retention in SBA (AOR 2.76; 95% CI 1.94–3.94), and 137% higher completion of full CoC (AOR 2.37; 95% CI 1.16–4.88) than women with low social independence. Frequency of reading newspapers or magazines, woman's education, age at first cohabitation, and age of the woman at first birth were significant predictors of CoC at all three stages, namely pregnancy, delivery, and postpartum, among the various indicators of social independence domain. Moreover, the intraclass correlation showed that about 16.20%, 8.49%, and 25.04%, of the total variation remained unexplained even after adjustments of individual, household and community level variables for models that predicted ANC 4+ visits, CoC from pregnancy to SBA, and CoC from delivery to the early postnatal period. The low completion rate of complete CoC for maternal health imply that women in Bangladesh are not getting the full health benefit from existing health services. Health promotion programs should target mothers with low levels of education, mothers who are not exposed to print media, and mothers who are younger at the time of birth and their first cohabitation to raise the rate of completing all levels of CoC for maternal health.
Sensitive and quantitative detection of cardiac troponin I with upconverting nanoparticle lateral flow test with minimized interference
Authors: Bayoumy Sherif , Martiskainen Iida , Heikkilä Taina , Rautanen Carita , Hedberg Pirjo , Hyytiä Heidi , Wittfooth Saara , Pettersson Kim 
Published: September 2021

AbstractMeasurement of cardiac troponin I (cTnI) should be feasible for point-of-care testing (POCT) to diagnose acute myocardial infarction (AMI). Lateral flow immunoassays (LFIAs) have been long implemented in POCT and clinical settings. However, sensitivity, matrix effect and quantitation in lateral flow immunoassays (LFIAs) have been major limiting factors. The performance of LFIAs can be improved with upconverting nanoparticle (UCNP) reporters. Here we report a new methodological approach to quantify cTnI using UCNP-LFIA technology with minimized plasma interference. The performance of the developed UCNP-LFIA was evaluated using clinical plasma samples (n = 262). The developed UCNP-LFIA was compared to two reference assays, the Siemens Advia Centaur assay and an in-house well-based cTnI assay. By introducing an anti-IgM scrub line and dried EDTA in the LFIA strip, the detection of cTnI in plasma samples was fully recovered. The UCNP-LFIA was able to quantify cTnI concentrations in patient samples within the range of 30–10,000 ng/L. The LoB and LoD of the UCNP-LFIA were 8.4 ng/L and 30 ng/L. The method comparisons showed good correlation (Spearman’s correlation 0.956 and 0.949, p < 0.0001). The developed UCNP-LFIA had LoD suitable for ruling in AMI in patients with elevated cTnI levels and was able to quantify cTnI concentrations in patient samples. The technology has potential to provide simple and rapid assay for POCT in ED setting
Berkchaetoazaphilone B has antimicrobial activity and affects energy metabolism
Authors: Ouyang Xudong , Hoeksma Jelmer , van der Velden Gisela , Beenker Wouter A. G. , van Triest Maria H. , Burgering Boudewijn M. T. , den Hertog Jeroen 
Published: September 2021

AbstractAntimicrobial resistance has become one of the major threats to human health. Therefore, there is a strong need for novel antimicrobials with new mechanisms of action. The kingdom of fungi is an excellent source of antimicrobials for this purpose because it encompasses countless fungal species that harbor unusual metabolic pathways. Previously, we have established a library of secondary metabolites from 10,207 strains of fungi. Here, we screened for antimicrobial activity of the library against seven pathogenic bacterial strains and investigated the identity of the active compounds using ethyl acetate extraction, activity-directed purification using HPLC fractionation and chemical analyses. We initially found 280 antimicrobial strains and subsequently identified 17 structurally distinct compounds from 26 strains upon further analysis. All but one of these compounds, berkchaetoazaphilone B (BAB), were known to have antimicrobial activity. Here, we studied the antimicrobial properties of BAB, and found that BAB affected energy metabolism in both prokaryotic and eukaryotic cells. We conclude that fungi are a rich source of chemically diverse secondary metabolites with antimicrobial activity.
Short-Term Clinical Assessment of Hip Hemi-Arthroplasty in 11 Dogs
Authors: Huggard Renée , Wicks Grace , Corfield Gordon 
Published: September 2021

Abstract
Objective The aim of this study was to assess the short-term clinical outcome in dogs following a hip hemi-arthroplasty for the treatment of primary pathological disorders of the hip and as a salvage procedure following failure of the cup component of a total hip replacement.
Study Design Medical records of dogs that had a unilateral hip hemi-arthroplasty performed between 2015 and 2020 were reviewed. Data collected included follow-up orthopaedic examinations performed at 0, 2, 8 and 52 weeks postoperatively, pelvic radiography at 0, 8 and 52 weeks postoperatively and an owner questionnaire (Helsinki chronic pain index [HCPI]).
Results Eleven unilateral hip hemi-arthroplasty procedures were identified. The median age at time of surgery was 3.6 years (8 months–10 years) and the median follow-up time was 13 months (range: 2 months–3 years). The HCPI for all dogs at follow-up was median 8 ± 7.30 (range: 5–25). Total HCPI was < 12 for 7/10 dogs and ≥ 12 for 3 dogs. Pelvic radiographs at 1 year confirmed osteointergration of the femoral stem implant and no evidence of implant subsidence or progression of osteoarthritis. However, there was some evidence of mild lucency of the acetabular bed around the prosthetic femoral head and mild peri-acetabular sclerosis in four cases.
Conclusion Hip hemi-arthroplasty provides a clinically acceptable treatment for disabling disease of the coxofemoral joint with 10/11 patients achieving acceptable short-term clinical function. Long-term assessment of the hip hemi-arthroplasty and comparison with total hip replacement is indicated.
L2 pronunciation research and teaching
Authors: Levis John 
Published: September 2021

Abstract
Research on L2 pronunciation needs to occur in a much wider range of languages in order to ensure that findings are not just applicable to dominant languages. This paper argues that research on a wider variety of languages will be valuable for understanding different contexts of learning/instruction, different types and combinations of phonological features, and different instructional approaches. The field especially needs two parallel and interrelated threads of research and teaching-oriented publications. The first is descriptions of and materials for teaching pronunciation in particular languages. The second is research that is built around questions of practical interest and theoretically-motivated models of L2 speech perception and production.
High-dose radiation exposure and hypothyroidism: aetiology, prevention and replacement therapy
Authors: Reiners Christoph , Hänscheid Heribert , Schneider Rita 
Published: September 2021

Abstract
Without any doubt, high dose radiation exposure can induce hypothyroidism. However, there are open questions related to the mechanisms of its induction, corresponding dose thresholds and possible countermeasures. Therefore, this review addresses the aetiology, prevention and therapy of radiation induced hypothyroidism. External beam radiotherapy with several 10 Gy to the head and neck region and radioiodine therapy with several 100 Gy thyroid absorbed dose can destroy the thyroid gland and can induce autoantibodies against thyroid tissue. According to recent literature, clinical hypothyroidism is observed at threshold doses of ∼10 Gy after external beam radiotherapy and of ∼50 Gy after radioiodine therapy, children being more sensitive than adults. In children and adolescents exposed by the Chernobyl accident with mean thyroid absorbed doses of 500–800 mGy, subclinical hypothyroidism has been detected in 3%–6% of the cases with significant correlation to thyroid absorbed doses above 2.5 Gy. In case of nuclear emergencies, iodine thyroid blocking (ITB) is the method of choice to keep thyroid absorbed doses low. Large doses of stable iodine affect two different steps of internalization of radioiodine (transport and organification); perchlorate affecting the transport only may be an alternative to iodine. Administered before radioiodine incorporation, the effect of 100 mg iodide or more is still about 90% after 1 days, 80% after 2 days, and 50% or less after 3 days. If administered (too) late after exposure to radioiodine, the theoretically expected protective effect of ITB is about 50% after 6 h, 25% after 12 h, and about 6% after 24 h. In case of repeated or continuous exposure, repeated administration of 50 mg of iodide daily is indicated. If radiation-induced hypothyroidism cannot be avoided, thyroid hormone replacement therapy with individualized dosing and regular monitoring in order to maintain thyroid-stimulating hormone levels within the normal range ensures normal life expectancy.
Influence of Citrullus Colocynthis Pulp Extract on some Biochemical Parameters of Experimental Diabetic Female Rats
Authors: Khudhair Doaa Ayad , Degaim Zainab Dakhil , Al-Fartosi Khalid G. 
Published: September 2021

Abstract
The present study designed to investigate the effect of Citrullus colocynthis pulp extract on serum glucose level and some biochemical parameters of experimental diabetic female rats. Female rats included: the first group was orally administrated with a normal saline (1 mL/kg-1 body weight), the second group was given only C. colocynthis pulp extract (200 mg/kg-1 body weight), the third group (diabetic group) were given normal saline (1 mL/kg-1 body weight) and the fourth group (diabetic group with extract) were given C. colocynthis extract (200 mg/kg-1 body weight). The results indicated a significant decrease in level of glucose of rats in second group that treated with extract compared with the first and third groups. Also, the results were indicated a significant decrease in levels of cholesterol and AST, also decrease triglyceride and ALT levels in second and fourth groups compared with first and third groups.
Adsorption of toxic crystal violet dye using (Chitosan- OMWCNTs) from aqueous solution
Authors: Karam Faiq F. , Hassan Fatima F. , Hessoon Haider M. 
Published: September 2021

Abstract
Crystal Violet dye is a toxic organic pigment that has little solubility in water and causes serious health problems and environmental pollution. In the current study, a compound composed of multi-walled carbon nanotubes with chitosan was used. Experiments were conducted to adsorb the crystal violet dye for both the effect of the surface weight of the adsorbent and contact time. Dye with the CS-OMWCNTs. And the study of the effect of the pH and the study of the effect of ionic intensity in removing the dye. The results are shown. The best weight is obtained as an adsorbent surface was 0.035 g. The results showed the best contact time to reach a state of balance, which was 90 minutes. By studying the pH, the best acid medium was pH=4 and the percentage of deletion was 99% in the acidic medium with a concentration of 100 ppm. As for the ionic intensity study, each of the salts of sodium chloride and potassium carbonate are studied. The dye adsorption percentage decreases as the salt ions compete for the active sites of the adsorbent surface
Calculation of vibrational frequencies, Energetic and some other Quantum Chemical Parameters for some Flavonoids
Authors: Mustafa S. R. , Al-Ani Huda N. 
Published: September 2021

Abstract
Computational study objective understanding the molecular factors that influence their structural design electronic charge density on atoms and energetic properties, using quantum mechanics calculations of the Semiempirical theory PM3 and Density Functional Theory DFT of (B3LYP) with a 6-311++G (2d, 2p) by using Gaussian-09 program on Selected Phytomedicines molecules, Flavon, Claflanone, and Hesperetin. They were chosen because of their unique chemical structure, which enabled researchers to assess the impact of functional groups on physical properties.
Theoretical study for physical Properties, bond length, energies, vibration modes, charge density and Mechanical Properties by Quantum Mechanical Calculations for Phytomedicines molecules.
Both IR absorption intensities and vibration frequencies of 3N-6 for all species were measured and allocated, and correlations for the frequencies of related modes were observed using the Herzberg convention. In addition to certain physical properties such as heat of formation, total energy, electronic charge density on atoms, dipole moment, and energy gap (E= ELUMO-EHOMO), the calculated physical properties and quantum chemical parameters correlated for the three Phytomedicines molecules. The distribution of electronic charge density on the atoms of three molecules was also measured and analyzed using the Gaussian 09 program; all three molecules were studied and discussed at their equilibrium geometry, symmetry..