bluuebunny/crossref_metadata_2025_split huggingface dataset:
Does the School Environment Exert Influence on Quality of Life Related to the Occurrence of Traumatic Dental Injuries in School Children?&nbsp;
Authors: Quezada-Conde Maritza D. C. , Alvarez-Velasco Patricia Lourdes , Balseca-Ibarra Mariela C. , Freitas Raiza Dias , Ardenghi Thiago Machado , Michel-Crosato Edgard , Pannuti Claudio Mendes , Frias Antonio Carlos , Raggio Daniela Prócida , Mendes Fausto Medeiros 
Published: March 2021

Abstract
Purpose: To assess whether favourable factors related to school characteristics have a positive effect on the impact on OHRQoL related to occurrence TDI.Methods: An epidemiological survey of oral health was conducted with 12-year-old scholars from Quito, Ecuador. Children were examined regarding TDI, dental caries, and malocclusion. Individual socioeconomic data was collected. Information on the physical environment, health practices and occurrence of negative episodes in the schools were collected with the school’s coordinators. The Child Perceptions Questionnaire 11-14 (CPQ11-14) was answered to evaluate the OHRQoL (outcome variable). Multilevel Poisson regression analysis was conducted. Results: Occurrence of severe TDI was associated with higher CPQ11-14 scores, even in the multiple model adjusted for oral health conditions, sex, individual socioeconomic variables, and school-related variables. Children from schools that had an appropriate tooth brushing environment for their students exhibited a lower impact on OHRQoL, even when adjusted for occurrence of TDI and other variables. Conclusion: A favourable school environment may exert a positive effect on the OHRQoL, independently of the occurrence of TDI.
Effects of Population Flow on Regional Carbon Emissions: Evidence From China
Authors: Wu lei , Jia Xiaoyan , Gao Li , Zhou Yuanqi 
Published: March 2021

Abstract
Population flow can influence the growth of regional carbon emissions. This paper analyzes the dual transmission mechanism of population flow’s impact on population structure and carbon emission. On this basis, it empirically studies the impact of population flow and other related factors on carbon emissions in China by using panel data of 30 provinces and cities in China from 2005 to 2018 with panel econometric regression and heterogeneity analysis. The results show that, i) Over all, no matter in long-term or short-term, China’s population flow can reduce the growth of carbon emissions. ii) The aging of regional population and knowledge structure improvement caused by population flow helps reduce carbon emissions, while the regional urbanization caused by population flow and household miniaturization have no significant correlation with the growth of carbon emissions. iii) From the perspective of geographical heterogeneity, the northwest of "Hu Huangyong line" has poor ecological environment, low population density and low level of economic development. Population flow promotes the increase of carbon emissions, while the southeast of "Hu Huangyong line" is on the contrary. iv) The consumption level of Chinese residents, per capita GDP, energy intensity and energy consumption structure have positive effects on carbon emissions, while carbon emission intensity has negative effects. Finally, this paper puts forward relevant suggestions from the perspective of coordinating population policy and energy conservation and carbon emissions reduction policy.
Pairwise Interact-and-Imitate Dynamics
Authors: Bilancini Ennio , Boncinelli Leonardo , Campigotto Nicola 
Published: March 2021

Abstract
This paper introduces and studies a class of evolutionary dynamics --- Pairwise Interact-and-Imitate Dynamics (PIID) --- in which agents are matched in pairs, engage in a symmetric game, and imitate the opponent with a probability that depends on the difference in their payoffs. We provide a condition on the underlying game, named supremacy, and show that the population state in which all agents play the supreme strategy is globally asymptotically stable. We extend the framework to allow for payoff uncertainty, and check the robustness of our results to the introduction of some heterogeneity in the revision protocol followed by agents. Finally, we show that PIID can allow the survival of strictly dominated strategies, leads to the emergence of inefficient conventions in social dilemmas, and makes assortment ineffective in promoting cooperation.
A comparison of structure-activity of Cu-modified over different mesoporous silica supports for catalytic conversion of levulinic acid
Authors: Balla Putrakumar , Kumar Seelam Prem , Srinivasa Ginjupalli , Rajan Karthikeyan , Harishekar Mitta , Riitta Keiski , Liang Tong Xiang 
Published: March 2021

Abstract
Catalytic hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) was investigated over four different types of mesoporous silica (SBA-15, MCM-48, MCM-41, and KIT-6) supported copper (5 wt.%) catalysts. The Cu was incorporated into mesoporous silica supports by a sequential impregnation method. A detailed investigation of the support structure-activity correlation was done and the performance of the catalysts in LA conversion was studied. Detailed characterisation techniques were used to evaluate the physical and catalytic properties of the studied catalysts. The structure type and physicochemical properties of the silica support had a significant effect on the overall performance of the catalysts. Among them, over Cu/SBA-15 catalyst, a complete levulinic acid (LA) conversion with 98% gamma valerolactone (GVL) selectivity was achieved at 265°C under ambient H2 pressure. The superior performance of Cu/SBA-15 catalyst was due to the high surface acidity, reducibility of Cu oxides species, and highly dispersed Cu particles over SBA-15 structure. The results confirmed that the activity of the catalysts is significantly affected by the textural properties, surface acidity and copper dispersion. Durability of all the catalysts were tested for 50 h time on stream and over the SBA-15 catalyst, only a small drop in the activity was observed.
Investigating Functional Performance and Substituent Effect in Modelling Molecular Structure, UV-Visible Spectra and Optical Properties of D-π-A Conjugated Organic Dye Molecules: A DFT and TD-DFT Study.
Authors: Chanana Garima , Batra Kriti 
Published: March 2021

Abstract
The molecular structure, UV-Visible spectra, and optical properties of D-π-A conjugated organic dye molecules (Disperse Red 1 (DR1) and Disperse Red 73 (DR73)) were analyzed using Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) and compared with Azobenzene molecule to study the effect of Donor and Acceptor substituents on the molecular properties. The performance of DFT functionals is investigated using B3LYP hybrid functional and three long-range corrected functionals (CAM-B3LYP, LC-ωPBE, and ωB97XD) in conjunction with 6-31G(d,p) basis set. Using TD-DFT, we calculate the vertical excitation energies and transition dipole moment values for 100 excited states. These values were further utilized to calculate frequency dependent polarizability under Sum-Over-States (SOS) formalism and refractive index of these molecular systems. We observe that for Azobenzene and DR1 molecules, ωB97XD predicted wavelengths corresponding to peak absorbance closest to the experimental results, while for DR73 molecule, B3LYP gave better prediction. Large polarizability response is also observed for these molecules (DR1 and DR73) in comparison to parent Azobenzene structure due to charge transfer between donor and acceptor groups. For DR1 and DR73 molecules, αxx component of polarizability dominates in contrast to azobenzene where αzz dominates. The HOMO→LUMO transition during excitation contributes to the peak molecular response in simulated UV-Visible spectra. The high polarizability response of selected D-π-A conjugated molecules in comparison to parent molecule suggests that these molecules are promising candidates for tailor-made photonic and optoelectronic device development
Impact of nutrient warning labels on choice of ultra-processed food and drinks high in sugar, sodium, and saturated fat in Colombia: A randomized controlled trial
Authors: Mora-Plazas Mercedes , Higgins Isabella , Gomez Luis Fernando , Hall Marissa G. , Parra Maria Fernanda , Bercholz Maxime , Murukutla Nandita , Taillie Lindsey Smith 
Published: March 2021

Abstract
ObjectiveThis study assessed the impact of nutrient warning labels on product selection and ability to correctly identify less healthy products, among other outcomes, in Colombia. MethodsWe conducted an online randomized experiment among 8,061 Colombians in October 2020. Participants were assigned to a condition: nutrient warning, guideline daily amounts (GDA), Nutri-Score, or no-label. First, participants viewed two fruit drinks labeled according to their assigned condition, one with added sugar and one without, and indicated which they would prefer to buy and which was higher in sugar. Next, they viewed four food products with their assigned condition and answered questions. Finally, they selected which label type would most discourage them from consuming a specified ultra-processed food. ResultsFewer participants in the nutrient warning condition (20%) preferred to buy the added sugar fruit drink compared to 24% in the GDA condition (p<.01), 29% in the no-label condition, and 33% in the Nutri-Score condition (both, p<.001). More participants who saw the nutrient warning (88%) correctly identified the fruit drink higher in sugar compared to those who saw no-label (68%) or Nutri-Score (65%) (both, p<.001). In the GDA condition, 91% correctly identified the fruit drink higher in sugar compared to the nutrient warning condition (p<.01). Most participants (72%) selected the nutrient warning label as most discouraging. ConclusionsNutrient warning labels are a promising policy strategy to prevent obesity and diet-related non-communicable diseases in Colombia. Future research should assess nutrient warning labels’ impact on actual food purchases in Colombia. Trial Registration: NCT04567004
Synergic Fabrication of Naringin Molecule into Polymeric Nanoparticles for the Treatment and Nursing Care of Lung Cancer Therapy
Authors: Yan Lingqiao , Chen Hui , Xie Mindan 
Published: March 2021

Abstract
Lung cancer is the third most common cause of death and the main factor of cancer-related deaths in both males and females in the United States to the rest of the world. Diagnosis at an important level is associated with high mortality in the population of cases. Herein, we present a very easy and cost-effective method that incorporates drugs reconstruction, tumor-specific targeting supramolecular nanoassembly, and therapeutically to overcome the different challenges raised by the distribution of the pharmaceutical potential anticancer drug Naringin. On covalent conjugations of hydrophobic linoleic acid by hydroxyl group, the Naringin prodrugs were skilled in impulsively nanoassembly into extremely steady nanoparticles size (~100 nm). Electron microscopic techniques have verified the newly synthesized morphology of Naringin-NPs. The anticancer properties of Naringin and Naringin-NPs against A549 and HEL-299 (lung carcinoma) cancer cell lines have been evaluated after successful synthesis. Other research, such as dual staining acridine orange/ethidium bromide, Hoechst 33344 and flow cytometry study on the apoptosis mechanisms have shown that proliferation in lung cancer cells is associated with apoptosis. Compared to Naringin, Naringin-NPs demonstrate excellent biocompatibility, this study clarified the Naringin-NPs as a healthy and positive lung cancer treatment and care chemotherapeutics technique and deserve further clinical evaluations.
The Analysis of Pre-Monsoon Dust Storm Over Delhi Using Ground Based Observations
Authors: parde avinash , Pithani Prakash , Ghude Sachin D. , Dhangar Narendra G. , Jena Chinmay , Lal D.M. , Krishna Gopal 
Published: March 2021

Abstract
Three major sequential widespread dust events were experienced in the northern parts of India in May 2018. A significant impact of these pre-monsoon dust storms on the aerosol characteristics over the Indian National capital region (NCR) has been studied using remotely sensed ceilometer and ground-based measurements at Indira Gandhi International (IGI) airport, New Delhi, India. From the results, it is noticed that after each consecutive dust activity, the significant inclusion of dust aerosols loaded in the Free Troposphere (FT). Consequently, the direct impact on the lower atmospheric parameters like increase in daily average temperature (by 4–5 K), stepped up (stepped down) diurnal cycles of longwave fluxes (shortwave fluxes) has been recorded within 15 days of dust span. Mainly, the adverse meteorological and radiation features noticed before first dust storm (DS1), which pinpoints the sudden intrusion of dust over NCR, Delhi. However, this dust storm has extensively impacted in terms of the vertical dust loading, surface boundary layer mechanisms, and socioeconomic way. Therefore, the detailed analysis of vertical dust distribution and its interaction with middle tropospheric processes has been carried by using the vertical normalized attenuated backscatter coefficients accompanying the radiosonde observation. The aloft floating dust layer up to 3–4 km has been noticed even after shallow rainfall and persisted at almost the same height for the next 34 hrs due to low-level clouds. Meanwhile, the sub dust layer below 1 km is formed due to local activity, which also sustains for a long time. Moreover, the cumulative losses in terms of the impediment in airline operations (delay and diversion), live causalities, and deaths were estimated at US$1.3 million over these dust period.
A Novel Ferroptosis-related Lncrna Prognostic Signature for Colorectal Cancer by Bioinformatics Analysis
Authors: Yang Zhiyong , Zhang Yujiao , Wang Jiping , Yang Guodong , Liu Jing , Zhang Yaqi 
Published: March 2021

Abstract
Background: Recently, extensive studies have shown that ferroptosis in cancer treatment has been increasingly confirmed. The current study aims to construct a robust ferroptosis-related lncRNAs signature prediction model of colorectal cancer (CRC) patients by bioinformatics analysisMethods: The transcriptome data were abstracted from The Cancer Genome Atlas (TCGA). Differentially expressed lncRNAs were screened by comparing 568 CRC tissues with 44 adjacent non-CRC tissues. Univariate Cox regression, lasso regression, multivariate Cox regression were conducted to design a ferroptosis-related lncRNA signature. This signature’s prognosis was verified by the log-rank test of Kaplan-Meier curve and the area under curve (AUC) of receiver operating characteristic (ROC) in train set, test set, and entire set. Furthermore, univariate and multivariate Cox regression were used to analyze its independent prognostic ability. The relationship of the ferroptosis-linked lncRNAs' expression and clinical variables was demonstrated by Wilcoxon rank-sum test and Kruskal-Wallis test. Gene set enrichment analysis (GSEA) was performed to signaling pathways it may involve.Results: 2541 differentially expressed lncRNAs were screened, of which 439 are ferroptosis-related lncRNAs. A seven ferroptosis-related lncRNAs (AC005550.2, LINC02381, AL137782.1, C2orf27A, AC156455.1, AL354993.2, AC008760.1) prognostic signature was constructed, validated and evaluated. This model's prognosis in the high-risk group is obviously worse than that of the low-risk group in train set, test set, and entire set. The AUC of ROC predicting the three years survival in the train set, test set, and entire set was 0.796, 0.715, and 0.758, respectively. Moreover, the designed molecular signature was found to be an independent prognostic variable. Compared to clinical variables, this signature's ROC curves demonstrated the second largest AUC value (0.737). The expression of these lncRNAs and the lncRNA signature are related to distant metastasis, Lymph-node status, clinical stage, T stage, KRAS mutation, BRAF mutation, MMR status, and perineural invasion. Finally, GSEA analysis results show that the signature is involved in six metabolism-related pathways.Conclusion: The current study constructed, validated, and evaluated a seven ferroptosis-related lncRNA signature which can independently be used to predict the prognosis of CRC patients, and it may become a new therapeutic target.
Conserved in 186 Countries The RBD Fraction of SARS CoV-2 S-Protein With in-Silico T500S Mutation Strongly Blocks ACE2 Rejecting The Viral Spike; A Molecular-Docking Analysis.
Authors: Banerjee Amrita , Kanwar Mehak , Santra Dipannita , Maiti Smarajit 
Published: March 2021

Abstract
SARS CoV-2 developed a global pandemic with millions of infections/deaths. The role of blocker/inhibitor of ACE2 and viral-spikes Receptor-Binding-Domain RBD-blockers has been reported. In the current study, conserved RBD portions or cuts from 186 countries were screened and compared with WUHAN-Hu-1 wild-type by CLUSTAL X2 and Structural alignment analyses using Pymol. The RBD of ACE2 bound nCOV2 crystal-structure (2.68 Å) 6VYB1 was analyzed by PyMol and compared with RBD-Cut docking by Haddock and Patch Dock. Extensive structural study/trial to introduce point/double/triple mutations in the following locations (Y489S/Y453S/T500S/T500Y)/ (Y489S,Y453S/Y489S,T500S/Y489S,T500Y/Y453S,T500S/Y453S,T500Y)/ (Y489S,Y453S,T500S/ Y489S,Y453S,T500Y) of CUT4 were tested with Swiss Model Expacy. Blind docking of mutated CUTs to ACE2 (6VW1) by Haddock and Hawkdock was performed and complete rejection of nCOV2 was optimized through its re-docking trial and using pre-docked ACE2. Further, competitive-docking was performed and its binding analyses were done by PRODIGY. Present results suggest that compared to the wild-spike, CUT4 showed extra LYS31-PHE490 and GLN42-GLN498 bonding and lack of TYR41-THR500 interaction (in wild H-bond: 2.639Å) with ACE2 RBD, which can potentially but compete with the wild-spike. Whereas mutated CUT4 strongly binds with the ACE2 RBD, promoting TYR41-T500S (H-bond: 2.0Å and 1.8Å)/T500Y (H-bond: 2.6Å) interaction and complete inhibition of ACE2 RBD-nCOV2 S-protein binding. Mutant combinations T500S, Y489S,T500S and Y489S,Y453S,T500Y were found to be the most potent blocker of ACE2. It is hypothesized that Cut4 mutant is kinetically more favoured for ACE2-RBD binding and even reject whole glycosylated nCoV2 in all format of experiments; pre-dock, post-dock, and competitive-docking. Studies are necessary in this regard.
Endoscopic Transcorporeal Approach and Channel Repair for Cervical Disc Herniation: 2-Year Follow-Up Study
Authors: Du Qian , Kong Wei-Jun , Cao Guang-Ru , Xin Zhi-Jun , Ao Jun , Liao Wen-Bo 
Published: March 2021

Abstract
Objective To investigate the 2-year follow-up outcomes of patients with cervical intervertebral disc herniation (CIVDH) after percutaneous full-endoscopic anterior transcorporeal cervical discectomy (PEATCD) and channel repair. Methods From Oct. 2016 to Mar. 2017, 24 patients with central/mediolateral CIVDH was treated with PEATCD and channel repair. Of the 24 cases, five interventions were performed at C3-C4 level, 11 were performed at C4-C5 level, and 8 were performed at C5-C6 level. Clinical outcomes were evaluated by Neck Disability Index (NDI), Japanese Orthopaedic Association (JOA), and Visual Analog Scale (VAS). Radiographic outcomes were measured with X-rays, computed tomography (CT) and magnetic resonance imaging.Results All the 24 procedures were completed successfully with an average operating time of 86.40±8.19min. Neck collar was advised for 3 weeks for all patients. No procedure-related complications were observed except for the swollen neck in 5 patients, which rehabilitated within 2 hours without sequela. The final scores of NDI, JOA, and VAS were improved significantly compared to those of preoperative assessments, 7.74±7.31 VS. 52.11±22.10, 16.04±0.68 VS. 9.08±1.31, and 0.52±0.65 VS. 6.73±1.45, respectively, P<0.05. Mean disc height was decreased from preoperative 5.43±0.52 mm to final 5.05±0.43 mm, without related-symptoms. No bone plug migration or channel collapse was measured during postoperative periods. All the channels were absent 12 months postoperative. Conclusion The most outstanding advantages of PEATCD with channel repair were “functional preservation” and “anatomical protection” for cervical spine, and which is a safe, feasible, effective, and minimally invasive surgery that offers an alternative for patients with CIVDH.
Mechanistic Insight into the Hydrogenation of Acetylene on the Pd2/g-C3N4 Catalyst: Effect of Pd Clustering on the Barrier Energy and Selectivity
Authors: Hosseini Sayyed Mahdi , Ghiaci Mehran , Farrokhpour Hossein 
Published: March 2021

Abstract
In this work, the hydrogenation of acetylene on the Pd2/g-C3N4 catalyst is investigated by the Density Functional Theory (DFT) and Quantum Theory of Atoms in Molecules (QTAIM) calculations. The Pre-reactant (R), transition states (TSs), and the intermediates (IMs), involved in the hydrogenation process, are characterized from the point of view of energy and structure. The calculated energy barrier for the hydrogen transfer to the acetylene and ethylene are 6.77 and 12.28 kcal/mol, respectively which shows that the Pd2/g-C3N4 catalyst has good selectivity for the conversion of acetylene to ethylene rather than ethane. Comparing the values of these energy barriers with those of the hydrogenation of acetylene on the Pd/g-C3N4 catalyst (21.53 and 38.88 kcal/mol, respectively) shows that the increase in the number of the Pd atoms decreases the energy barriers of the hydrogenation reaction and increases the selectivity of the catalyst for the ethylene production.
Bacteriophages: A Possible Solution to Combat Enteropathogenic Escherichia Coli ( EPEC) Infections in Neonatal goats
Authors: Bhargava Kanika , Gururaj K , Aseri G. K. , Nath Gopal , Yadav Virendra Bahadur , Pawaiya R. V. S. , Kumar Ashok , Mishra A.K. , Jain Neelam 
Published: March 2021

Abstract
Due to the awareness and benefits of goat rearing in developing economies, goats' significance is increasing. Unfortunately, these ruminants are threatened via multiple bacterial pathogens such as enteropathogenic Escherichia coli (EPEC) and its pathotypes. In goat kids and lambs, EPEC causes gastrointestinal disease leading to substantial economic losses for farmers and may also pose a threat to public health via the spread of zoonotic diseases. Management of infection is primarily based on antibiotics, but the need for new therapeutic measures as an alternative to antibiotics is becoming vital because of the advent of antimicrobial resistance (AMR). The current study focuses on the prevalence of enteric diseases, their identification through various molecular techniques viz., SYBR green real-time PCR, conventional PCR based on bfpA gene, PCR based on uspA gene and isolation, purification of naturally occurring phages against three EPEC multi-drug resistant strains isolated from the neonatal goat. Bacteriophages are novel components that can be used to tackle bacterial infections and AMR, where host immune responses and antimicrobial agents become incompetent. It was observed that a PCR based approach is more effective and rapid as compared to phenotypic tests. It was also established that the isolated bacteriophages exhibited potent antibacterial efficacy in-vitro. Hence, bacteriophages, being a natural therapeutic biological agent docking bacterial host, may be explored as a potential alternative to antibiotics in managing public, livestock and environmental health in this troubling situation of AMR.