bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydration of amino acids: An investigation using density functional theory
Authors: Sarath Kumar C. B. , Mayank  , Reji Rence P. , Gobinath M. , Sivalingam Y. , Surya V. J. 
Published: March 2022

Abstract
Herein, we have investigated the effect of hydration of seven amino acids (AAs) such as alanine, aspartic acid,cysteine, glutamine, lysine, methionine, and phenylalanine with different number of water molecules using density functional theory. Among the hydrophobic AAs, cysteine has the highest interaction with water whereas in hydrophilic AAs, aspartic acid has the highest interaction with water. With the increase in number of water molecules, it is noted that alanine forms the most stable complex with water and methionine+water complex has least stability.In addition, we have calculated the chemical descriptors like chemical potential, electronegativity, hardness, softness, electrophilicity index of AAs to validate their interaction with water molecules. Interestingly, the gas phase interaction energy results match with the trend of electrophilicity index valuesof AAs.
Magnetic Properties of Ultrathin As-deposited and Annealed Ta/CoFeB/TaOx Heterostructures
Authors: dey Jaydeb , Ranjan Das Soumya , Sinha Jaivardhan 
Published: March 2022

Abstract
In order to meet the ever-increasing demand of magnetic recording industry, it is important to developferromagnetic thin film heterostructure compatible for magnetic memory device. Here, we have developed ultrathin ferromagnetic film of transition metal borides(CoFeB) which has huge potential to be integrated in magnetic memory devices. In particular, we have studied the surface roughness and magnetic properties of sputter deposited Substrate/1 nm Ta/1.5 nm CoFeB/1nm TaOx heterostructures. Magnetic properties investigation of as-deposited and 300 ⁰C annealed Ta/CoFeB/TaOx heterostructure using vibrating sample magnetometer indicates the presence of in-plane anisotropy in both the film stacks and a reasonable increase in the saturation magnetization of annealed film stack. Importantly, possible boron diffusion as well as partial crystallization of CoFeB layer due to annealing play crucial roles in governing the magnetic properties in these film stacks. These results provide in-depth insight into the factors affecting saturation magnetization of such ultrathin film heterostructures.
Mechanical and Morphological study of Copper slag admixtured cement mortar under different curing media
Authors: Gopalakrishnan R. , Akash M. , Subashini S. 
Published: March 2022

Abstract
The hydration of ordinary Portland cement was measured on the respect of the setting time, compressive strength and morphology measurements in the presence of 0%, 10%, 20% and 30 wt% copper slag. These samples were cured in distilled water, seawater and groundwater. The results show that the replacement rates of copper slag (0%, 10%, 20% and 30 wt.%) raises the compressive strength and brings down the setting time. Both these findings suggest that at an early stage, seawater accelerates cement hydration but slows the later stage of hydration.
Solution based process of ZnO nanostructured thin films: A review
Authors: Sourav M , Leena B , Bakiyaraj G 
Published: March 2022

Abstract
The solution-based technique is recently gaining momentum for the fabrication of optoelectronic materials due to its cost-effectiveness, fabrication of large-scale thin films, processing at low temperature, low cost and simplicity of the process requirements. The properties of thin films depend on the diverse parameters like substrate, deposition time, source materials, doping agent, pH and temperature at which the process is done. ZnO nanostructured thin film has been widely used in organic and hybrid solar cells due to its precise characters such as reduced cost, simple processing, non-toxicity, better optoelectronic properties and good stability. In this review article, we have focused on different solution-based methods which are capable of yielding good quality thin films of ZnO with different morphology for various applications.
Synthesis and Structural studies of lightweight CNT/Cu composites: An overview
Authors: Dhall Shivani , Pushkarn Srijin , Kharangarh Poonam 
Published: March 2022

Abstract
An overview on structural and electrical properties of carbon nanotubes (CNTs) and Copper (Cu) based composite is presented keeping in mind their applications today and in the near future. CNTs are emerging as the most promising conducting wires in interconnection technology due to their higher electrical conductivity and extraordinary current-carrying capacity. In this work, we have found that, metal sputtering technique proved useful for the deposition of Cu nanoparticles on the surface of nanotubes. The structural and morphological studies of Cu deposited nanotubes were investigated by Raman spectroscopy and scanning electron microscopy (SEM). It was found that, the presence of prominent Raman bands in Cu deposited nanotubes is clear indication of the nanocompoites formation without destruction of carbon tubular structure. CNTs/Cu composites showed high conductivity and ampacity, making it uniquely suited for applications in microscale electronics and inverters.
An Improved double input dc converter for renewable energy application
Authors: Lavanya A. , Divya Navamani J. , Vijayakumar K. 
Published: March 2022

Abstract
A hybrid renewable energy system with more than one source like solar photovoltaic, wind energy, battery, and fuel cell increase the system’s reliability and flexibility. A suitable power electronic converter is required to integrate these sources and interface with the load simultaneously. Therefore, the paper’s main objective is to recommend a novel double input dc converter for a hybrid renewable energy system. This power electronic converter efficiently integrates the sources and supplies the load demand. The critical waveforms for various modes of operation of the proposed converter are discussed in detail and the output voltage equation is derived. The proposed double input converter has a simple structure and reduced components. The performance comparison with the currently reported converters in the literature is presented, and the double input converter is simulated and analysed using MATLAB/Simulink software. The theoretical analysis is validated through the simulation results of the designed double input dc converter for renewable energy application.
Growth and Gd doping of ZnO nanostructures with enhanced structural, optical properties and photocatalytic applications
Authors: Dash Debasrita , Sahu Dojalisa 
Published: March 2022

Abstract
In this study, pure and Gadolinium doped ZnO (Gd-ZnO) nanoparticles have been synthesized by wet chemical method and the effect of Gadolinium incorporation on the structure and optical activity of ZnO was examined. The average size of the undoped ZnO and Gd-ZnO (0.002 M and 0.003 M) nanoparticles was found to be 48 nm, 44 nm and 42 nm respectively which shows the lattice compression of ZnO after Gd doping. TEM study shows the hexagonal nanocrystallites of Gd-ZnO with size around 45 nm is formed. FTIR study shows the metal-oxygen band below 600 cm−1 and absorbance study gives the information about the narrowing of band gap of ZnO after Gd doping. The photocatalytic degradation efficiency of Gd-ZnO (92 %) has been found to be better as compared to undoped ZnO (89 %) in degrading methyl blue (MB). The photodegradation of MB is found to follow first order kinetics.
Synthesis and characterization studies of polypyrrole/iron tungstate nanocomposites for interfacial water evaporation
Authors: Robert Bellarmin V , Moorthy Arjun , Raja Saravanan M. E. 
Published: March 2022

Abstract
PPy-FeWO4 composites were synthesized by polymerization of pyrrole in presence of varying weight percentage of FeWO4 nanoparticles using FeCl3 as both catalyst and dopant. The synthesized polymer composites were characterized by FTIR, XRD, FESEM-EDAX, TEM and TGA analysis. The XRD and FTIR analysis confirmed showing near pure samples were achieved. The FESEM-EDAX and TEM studies showed the presence of FeWO4 nanoparticles which were well dispersed in the polymer matrix. The thermal degradation studies showed similar stability of polymer matrix in the presence of nanoparticles. Interfacial solar water evaporation devices were fabricated by depositing the polymer composite on floatable PU sponges. The studies revealed that 50-50 wt% PPy-FeWO4 showed maximum solar to vapour conversion up to 86% with an evaporation rate up to 1.2 kg m−2 hr−1.
End-of-life care for older people: the way forward
Authors: Van Den Noortgate Nele Julienne , Van den Block Lieve 
Published: March 2022

Abstract
Even though many older people will live longer in good health, many will also be confronted with frailty, multi-morbidity, cognitive decline, disability and serious illnesses in the last years of their life. The end-of-life trajectories of frail older people have a major impact on the care that needs to be provided. Older people develop different physical, psychological, and/or social needs in varying intensity during the last years of life. Moreover, determining a clear terminal phase of life is difficult in this population. In this commentary, we aim to highlight the importance of an integrated palliative, geriatric and rehabilitative care approach for older people, emphasizing the importance of setting-specific and cross-setting interventions. We stress the importance of person-centred care planning with the older patient and the role of their families, communities and society as a whole. We identify and formulate some of the research gaps that can be addressed in the near future.
The Role of Breastfeeding in Racial and Ethnic Disparities in Sudden Unexpected Infant Death: A Population-Based Study of 13 Million Infants in the United States
Authors: Bartick Melissa , Barr Alexis Woods , Feldman-Winter Lori , Guxens Mònica , Tiemeier Henning 
Published: March 2022

Abstract
Sudden unexpected infant death (SUID) disproportionately affects non-Hispanic Black (NHB) and American Indian/Alaskan Native infants, who have lower rates of breastfeeding than other groups. Using 13,077,880 live-birth certificates and 11,942 linked SUID death certificates from 2015 through 2018, we calculated odds ratios and adjusted risk differences of SUID in infants who were not breastfed across 5 racial/ethnic strata in the United States. We analyzed mediation by not breastfeeding in the race/ethnicity–SUID association. The overall SUID rate was 0.91 per 1,000 live births. NHB and American Indian/Alaskan Native infants had the highest disparity in SUID relative to non-Hispanic White infants. Overall, not breastfeeding was associated with SUID (adjusted odds ratio (aOR), 1.14; 95% confidence interval (CI): 1.10, 1.19), and the adjusted risk difference was 0.12 per 1,000 live births. The aOR of not breastfeeding for SUID was 1.07 (95% CI: 1.00, 1.14) in NHB infants and 1.29 (95% CI: 1.14, 1.46) in Hispanic infants. Breastfeeding minimally explained the higher SUID risk in NHB infants (2.3% mediated) and the lower risk in Hispanic infants (2.1% mediated) relative to non-Hispanic White infants. Competing risks likely explain the lower aOR seen in NHB infants of not breastfeeding on SUID, suggesting that social or structural determinants must be addressed to reduce racial disparities in SUID.
Validity and Relative Validity of Alternative Methods of Assessing Physical Activity in Epidemiologic Studies: Findings From the Men’s Lifestyle Validation Study
Authors: Pernar Claire H , Chomistek Andrea K , Barnett Junaidah B , Ivey Kerry , Al-Shaar Laila , Roberts Susan B , Rood Jennifer , Fielding Roger A , Block Jason , Li Ruifeng , Willett Walter C , Parmigiani Giovanni , Giovannucci Edward L , Mucci Lorelei A , Rimm Eric B 
Published: March 2022

Abstract
In the Men’s Lifestyle Validation Study (2011–2013), we examined the validity and relative validity of a physical activity questionnaire (PAQ), a Web-based 24-hour recall (Activities Completed Over Time in 24 Hours (ACT24)), and an accelerometer by multiple comparison methods. Over the course of 1 year, 609 men completed 2 PAQs, two 7-day accelerometer measurements, at least 1 doubly labeled water (DLW) physical activity level (PAL) measurement (n = 100 with repeat measurements), and 4 ACT24s; they also measured their resting pulse rate. A subset (n = 197) underwent dual-energy x-ray absorptiometry (n = 99 with repeated measurements). The method of triads was used to estimate correlations with true activity using DLW PAL, accelerometry, and the PAQ or ACT24 as alternative comparison measures. Estimated correlations of the PAQ with true activity were 0.60 (95% confidence interval (95% CI): 0.52, 0.68) for total activity, 0.69 (95% CI: 0.61, 0.79) for moderate-to-vigorous physical activity (MVPA), and 0.76 (95% CI: 0.62, 0.93) for vigorous activity. Corresponding correlations for total activity were 0.53 (95% CI: 0.45, 0.63) for the average of 4 ACT24s and 0.68 (95% CI: 0.61, 0.75) for accelerometry. Total activity and MVPA measured by PAQ, ACT24, and accelerometry were all significantly correlated with body fat percentage and resting pulse rate, which are physiological indicators of physical activity. Using a combination of comparison methods, we found the PAQ and accelerometry to have moderate validity for assessing physical activity, especially MVPA, in epidemiologic studies.
Comprehensive assessment of cellular senescence in the tumor microenvironment
Authors: Wang Xiaoman , Ma Lifei , Pei Xiaoya , Wang Heping , Tang Xiaoqiang , Pei Jian-Fei , Ding Yang-Nan , Qu Siyao , Wei Zi-Yu , Wang Hui-Yu , Wang Xiaoyue , Wei Gong-Hong , Liu De-Pei , Chen Hou-Zao 
Published: March 2022

AbstractCellular senescence (CS), a state of permanent growth arrest, is intertwined with tumorigenesis. Due to the absence of specific markers, characterizing senescence levels and senescence-related phenotypes across cancer types remain unexplored. Here, we defined computational metrics of senescence levels as CS scores to delineate CS landscape across 33 cancer types and 29 normal tissues and explored CS-associated phenotypes by integrating multiplatform data from ~20 000 patients and ~212 000 single-cell profiles. CS scores showed cancer type-specific associations with genomic and immune characteristics and significantly predicted immunotherapy responses and patient prognosis in multiple cancers. Single-cell CS quantification revealed intra-tumor heterogeneity and activated immune microenvironment in senescent prostate cancer. Using machine learning algorithms, we identified three CS genes as potential prognostic predictors in prostate cancer and verified them by immunohistochemical assays in 72 patients. Our study provides a comprehensive framework for evaluating senescence levels and clinical relevance, gaining insights into CS roles in cancer- and senescence-related biomarker discovery.
Prognostic impact of perineural invasion in intrahepatic cholangiocarcinoma: multicentre study
Authors: Wei Tao , Zhang Xu-Feng , He Jin , Popescu Irinel , Marques Hugo P. , Aldrighetti Luca , Maithel Shishir K. , Pulitano Carlo , Bauer Todd W. , Shen Feng , Poultsides George A. , Soubrane Oliver , Martel Guillaume , Koerkamp Bas Groot , Itaru Endo , Lv Yi , Pawlik Timothy M. 
Published: March 2022

Abstract

Background
The aim of this study was to investigate the prognostic impact of perineural invasion (PNI) on tumour recurrence and survival among patients with resected intrahepatic cholangiocarcinoma (ICC).

Methods
This was a multicentre, retrospective study of patients who underwent resection with curative intent for ICC between 2000 and 2017. The relationship between PNI, clinicopathological characteristics, and long-term survival was analysed in the overall cohort and the subset of patients with early-stage ICC.

Results
Among 1095 patients who underwent resection of ICC, PNI was present in 239 (21.8 per cent). In univariable analysis, PNI was associated with worse disease-free survival (DFS) (median 13.2 versus 16.1 months for patients with and without PNI respectively; P = 0.038) and overall survival (OS) (26.4 versus 41.5 months; P &lt; 0.001). In multivariable analysis, PNI was an independent risk factor associated with reduced DFS (hazard ratio (HR) 1.56, 95 per cent c.i. 1.06 to 2.13; P = 0.019) and OS (HR 1.74, 1.16 to 2.60; P = 0.007). In subgroup analysis of patients with early-stage disease (AJCC T1–2, 981 patients; or N0, 249 patients), PNI remained associated with worse DFS (T1–2: median 13.7 versus 16.6 months in patients with and without PNI respectively, P = 0.019; N0: 11.7 versus 17.5 months, P = 0.022) and OS (T1–2: 28.5 versus 45.7 months, P &lt; 0.001; N0: 34.9 versus 47.5 months, P = 0.036).

Conclusion
PNI is a strong independent predictor of tumour recurrence and long-term survival following resection of ICC with curative intent, even among patients with early-stage disease. The presence of PNI should be assessed routinely.
Differential T-Cell Immunity to Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) in mRNA-1273– and BNT162b2-Vaccinated Individuals
Authors: Gallagher Kathleen M E , Leick Mark B , Larson Rebecca C , Berger Trisha R , Katsis Katelin , Yam Jennifer Y , Maus Marcela V 
Published: March 2022

Abstract
COVID-19 breakthrough cases among vaccinated individuals demonstrate the value of measuring long-term immunity to SARS-CoV-2 and its variants. We demonstrate that anti-spike T-cell responses and IgG antibody levels are maintained but decrease over time and are lower in BNT162b2- versus mRNA-1273–vaccinated individuals. T-cell responses to the variants are relatively unaffected.
Antibody-Mediated Immunogenicity Against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Following Priming, Boosting, and Hybrid Immunity: Insights From 11 Months of Follow-up of a Healthcare Worker Cohort in Israel, December 2020–October 2021
Authors: Edelstein Michael , Wiegler Beiruti Karine , Ben-Amram Hila , Bar-Zeev Naor , Sussan Christian , Asulin Hani , Strauss David , Bathish Younes , Zarka Salman , Abu Jabal Kamal 
Published: March 2022

Abstract

Background
We determined circulating anti-S severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) immunoglobulin G (IgG) antibody titers in a vaccinated healthcare workers (HCWs) cohort from Northern Israel in the 11 months following primary vaccination according to age, ethnicity, and previous infection status.

Methods
All consenting HCWs were invited to have their IgG levels measured before vaccination and at 6 subsequent timepoints using a quantitative S1/S2 IgG assay. All HCWs with suspected coronavirus disease 2019 (COVID-19) were polymerase chain reaction (PCR) tested. We described trends in circulating IgG geometric mean concentration (GMC) by age, ethnicity, timing of boosting, and previous infection status and compared strata using Kruskall-Wallis tests.

Results
Among 985 vaccinated HCWs, IgG titers between 1 month post 2nd dose to pre-boosting gradually decreased in all age groups. Younger or previously infected individuals had higher initial post-vaccination IgG levels (P &lt; .001 in both cases); differences substantially decreased or disappeared at 7–9 months, before boosting. The proportion of individuals infected prior to initiating vaccination and re-infected after dose 1 was comparable to the proportion of breakthrough infection post-dose 2 in those not previously infected (4.2 vs 4.7%). Pre-infection IgG levels in the 40 participants with breakthrough infection after dose 2 were similar to levels measured at the same timepoint in vaccinated HCWs who remained uninfected (P &gt; .3). Post-dose3 IgG levels were more than 10-fold those 1 month post-dose 2.

Conclusions
Immunity waned in all age groups and previously infected individuals, reversed by boosting. IgG titers decrease and reinfections in individuals with hybrid immunity (infection + vaccination) suggests they may also require further doses. Our study also highlights the difficulty in determining protective IgG levels.
The impact of COVID-19 on bike-sharing travel pattern and flow structure: evidence from Wuhan
Authors: Li Qiumeng , Xu Weipan 
Published: March 2022

Abstract
The COVID-19 pandemic has dramatically influenced urban mobility patterns. This paper explores the impact of the pandemic on the travel patterns and flow structure of bike-sharing, in Wuhan, China. We find that during the pandemic, bike-sharing became a major mode of transport and helped for the travel to hospitals. In post-pandemic Wuhan, more cycling neighbourhoods emerged in suburban areas, and the percentage of bike-sharing ridership in denser areas tends to decrease, especially in workplaces, indicating there is a decentralised trend of bike-sharing flow structure. These findings imply that bike-sharing plays a significant role in promoting urban resilience, and are helpful to build bike-friendly cities and communities in the post-pandemic era.
Comprehensive Analysis of Congenital Adrenal Hyperplasia Using Long-Read Sequencing
Authors: Liu Yingdi , Chen Miaomiao , Liu Jing , Mao Aiping , Teng Yanling , Yan Huiming , Zhu Huimin , Li Zhuo , Liang Desheng , Wu Lingqian 
Published: March 2022

Abstract

Background
Congenital adrenal hyperplasia (CAH) is an autosomal recessive disorder that has been included in newborn screening programs. Current approaches to gene testing for CAH are facing challenges because of the complexity of the CYP21A2 locus and genetic heterogeneity of the disease.

Methods
A comprehensive analysis of CAH (CACAH) combining long-range locus-specific PCR and long-read sequencing (LRS) was developed to perform full sequence analysis of 5 common CAH candidate genes, including CYP21A2, CYP11B1, CYP17A1, HSD3B2, and StAR. In a blind retrospective study, the clinical utility of CACAH was evaluated in 37 samples by comparing to standard CAH testing using multiplex ligation-dependent probe amplification (MLPA) plus Sanger sequencing.

Results
Of the 37 clinical samples, a total of 69 pathogenic variants were identified, comprising 65 CYP21A2 variants, 2 HSD3B2 variants, and 2 CYP17A1 variants. For CYP21A2, the most frequent variant was c.518T &gt; A (29.2%), followed by c.293−13C/A &gt; G (21.5%). Compared with the current CAH testing using MLPA plus Sanger sequencing, the CACAH assay showed 100% specificity and 100% sensitivity, and precisely determined the junction sites of deletions/insertions and cis–trans configuration of multiple variants without analyzing family samples. Moreover, CACAH identified a case carrying 2 copies of CYP21A1 with the c.1451_1452delinsC variant on the same chromosome, which was not confirmed by MLPA plus Sanger sequencing.

Conclusion
LRS-based CACAH can determine all genotypes of CAH accurately and reliably in one assay, presenting a comprehensive approach for CAH genetic diagnosis and carrier screening.