bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nickel-Catalyzed Regio- and Diastereoselective Arylamination of Unactivated Alkenes
Authors: Wang Chao , Wang Shenghao , Zhang Lanlan , Xie Leipeng , Zhao Lei , Luo Chun , Mu Linping , Wang Xiuguang 
Published: March 2021

Abstract
An intermolecular syn-1,2-arylamination of unactivated alkenes with arylboronic acids and O-benzoylhydroxylamine electrophiles has been developed with Ni(II) catalyst. The cleavable bidentate picolinamide directing group facilitated formation of stabilized 4-, 5- or 6-membered nickelacycles and enabled the difunctionalization of diverse alkenyl amines with high levels of regio-, chemo- and diastereocontrol. This general and practical protocol was compatible with broad substrate scope and high functional group tolerance. The utility of this method was further demonstrated by the site-selective late-stage modification of pharmaceutical agents.
High Risk Factors for Subjective Discomfort Due to Lower Limb Discrepancy After Medial Open Wedge High Tibial Osteotomy
Authors: He Axiang , Wang Yin , Chen Yanan , Zhou Ying , Zhang Hui , Mao Yanjie , Liu Wanjun , Zhang Xianlong 
Published: March 2021

Abstract
Background: Medial open wedge high tibial osteotomy(OWHTO) may result in lower limb discrepancy(LLD), and Some patients experience uncomfortable symptoms. Studies have found that the degree of LLD is one but not the only high risk factor for inducing symptoms. The main purpose of this study is to explore the risk factors for symptomatic LLD.Methods: Sixty-four patients who underwent OWHTO in our hospital between June 2018 and January 2020 were included in the study. Changes in tibia length, lower limb length, femorotibial angle（FTA）, LLD and KOOS score were evaluated before and 1 year after surgery. Questionnaire was used to investigate whether patients had uncomfortable symptoms of LLD after surgery. Binary Logistic regression was applied to analyze the risk factors of symptomatic LLD.Results: There were 18 patients with subjective LLD uncomfortableness, 13 of them were occasional and 5 were frequent. Patients had a mean correction angle of 11.7 ° ± 4.6 °, with a mean increase in tibial length (6.0 ± 3.5) mm, lower limb length (8.6 ± 2.9) mm, and LLD (7.7 ± 3.7) mm at 1 year post-operation. Preoperative and postoperative changes in tibia length and lower limb length were statistically significant (P < 0.0001).There were statistically significant differences in pain, symptoms, ADL ,sports/recreations, QOL of KOOS subclassification before and after surgery (P < 0.0001). Binary logistic regression revealed that age ≥ 55, BMI ≥ 28, and LLD ≥ 10 mm were high risk factors for symptomatic LLD (P = 0.022, OR= 4.957 ; P = 0.020, OR = 5.32; P = 0.020, OR = 4.720).Conclusion: Patients with age ≥55, BMI≥28 and postoperative LLD≥10mm are more likely to develop symptomatic LLD. Older or heavier patients, who are expected to have an LLD greater than 10mm after OWHTO should be fully informed of the possibility of postoperative LLD symptoms.
Augmentative and Alternative Communication Intervention for in-patient Individuals With Post-stroke Aphasia: Study Protocol of a Parallel-group, Pragmatic Randomized Controlled Trial
Authors: Huang Li , Chen Szu-Han Kay , Xu Shutian , Wang Yongli , Jin Xing , Wan Ping , Sun Jikang , Tao Jiming , Zhang Sicong , Zhang Guohui , Shan Chunlei 
Published: March 2021

Abstract
Background: People with post-stroke moderate to severe aphasia commonly receive speech-language therapy (SLT). However, the outcomes of SLT sometimes is limited. Augmentative and alternative communication (AAC) has been reported as an effective treatment approach to improve communication effectiveness, language performance, decreasing depression, and improving quality of life for this population. However, little evidence has demonstrated the use of AAC intervention (AACT) in early recovery from people with post-stroke aphasia in in-patient rehabilitation settings. Besides, only a few studies use a randomized controlled trial (RCT) to compare AACT with SLT to date. The present study focuses on the effect of including AACT in regular SLT for people with post-stroke moderate to severe aphasia (PWAs) in an in-patient rehabilitation setting. The present study aims to compare the potential effectiveness of AACT combined with SLT on communication effectiveness and language recovery with SLT alone for PWAs in in-patient rehabilitation settings.Methods: We strive to include 30 PWAs, enroll in an in-patient program, a single-blind, randomized controlled trial with two parallel groups, and a 2-week follow-up. Patients receive a one-hour treatment session, including either both AAC and SLT or SLT alone daily for ten consecutive sessions. Three assessment points include baseline, after intervention sessions, and after the 2-week follow-up to compare the two groups' intervention effectiveness. The primary outcome measure is the score differences on the Communication of Basic Needs of Functional Assessment of Communication Skills for Adult (FACS) pre- and post- intervention. The secondary outcome measures include the results of the Chinese Standard Aphasia Battery (ABC), the 10-item Hospital version of the Stroke Aphasic Depression Questionnaire (SADQH-10), and the Stroke-Specific Quality of Life Scale (SS-QOL) as well as a patient and caregiver satisfaction questionnaire.Discussion: This RCT of AACT in an in-patient rehabilitation setting will contribute to new scientific evidence to the field of aphasia rehabilitation in early recovery during the in-patient period. The paper describes the trial, which will explore the effect of combining AACT and SLT and SLT only, our choice of primary and secondary outcome measures, and proposed analyses. The study results will provide information for implementing AACT in the regular in-patient SLT of future RCTs.Trial registration: This trial is registered in the Chinese Clinical Trial Registry database (ChiCTR) as ChiCTR2000028870. Date registered: 5 January 2020.
A New Approach for Extreme Proportion Calculation: Median Estimate and Its Application to Evaluate Performance of HIV&nbsp;Assays With 100% Test Sensitivity or Specificity
Authors: Liu Jin , Shao Fang , Yang Jiaying , Liu Jinxi 
Published: March 2021

Abstract
BackgroundIn the evaluation of performance of HIV assays, extreme sample proportions often occur, with test sensitivity and/or specificity of 100%, which making it challenging to assess the assays accuracies. To overcome these challenges, we propose using median estimate as an evaluation indicator for such testing.MethodsBased on the principles of binomial distribution and confidence interval, median estimate was defined as \(p={0.5}^{\frac{1}{n}}\), which means that, when the sample size n is equal to the event number x, namely the sample proportion (e.g., test sensitivity) is 100%, the 50th percentile (median) of p (the estimate of population proportion) is \({0.5}^{\frac{1}{n}}\). After demonstrating the mathematical proof of the median estimate, the key programming commands of commercial software SAS and free software R were given. Subsequently, we developed an Excel-based calculation tool that allows users to fill in data in an Excel sheet without writing any program. Six cases of HIV screening and diagnostic tests and HIV infections incidence data were selected from related articles and World Health Organization reports published between 2009 and 2020.ResultsThe median estimates, which were proved in the range from \(\frac{n-1}{n}\) to 1 and within the confidence interval range, showed statistical plausibility. Six HIV testing cases were presented to illustrate its application and elaborate on the relationship between the median estimate and the conventional simple estimate. These cases demonstrate that, when extreme proportions occurred (i.e., false positive and/or false negative in testing were zero), the conventional simple estimates of sensitivity, specificity, positive predictive value, and negative predictive value were 100% regardless of the sample size and prevalence. In contrast, the corresponding median estimates varied depending on the sample size and prevalence.ConclusionsAs evaluation indicators of HIV assays with extreme proportions, median estimates were more effective than conventional simple estimates. However, simple estimates objectively expressed the results of HIV testing. Because the correlation between median estimates and simple estimates was seamless, the two types of indicators were complementary in the evaluation of testing with extreme proportions. Hence, using both types of estimates could help evaluate HIV assays with extreme proportions more comprehensively.
Processing methodology of global anthropogenic emissions for air quality modeling
Authors: Pino-Cortés Ernesto 
Published: March 2021

Abstract
The Global Emissions Initiative (GEIA) stores and offers global datasets of emission inventories developed in the last 30 years. One of the most recently updated global datasets covering anthropogenic source emissions is the Copernicus Atmosphere Monitoring Service (CAMS). This study applied NetCDF Command Operator (NCO) software to preprocess the anthropogenic sources included in the CAMS datasets and converted those files as an input in the Sparse Matrix Operator Kerner Emissions (SMOKE) model for future air quality modeling. As a result, six steps were applied to obtain the required file format. The case of the central coast in Chile was analyzed to compare the global database and official reports for the on-road transport sector. As a result, some differences were shown in the most populated locations of the domain of analysis. The rest of the zones registered similar values. The methodology exposed in this report could be applied in any other region of the planet for air quality modeling studies. The development of global datasets such as CAMS is useful for hemispheric analysis and could bring an estimation on the mesoscale scale. It represents an opportunity for those locations without official reports of non-updated data.
Geocoding and spatio-temporal modeling of long-term PM2.5 and NO2 exposure: the Mexican Teachers' Cohort
Authors: Karla Cervantes - Martínez , Horacio Riojas - Rodríguez , Carlos Díaz - Ávalos , Hortensia Moreno - Macías , Ruy López - Ridaura , Dalia Stern , Octavio Acosta - Montes Jorge , Luis Texcalac - Sangrador José 
Published: March 2021

Abstract
Epidemiological studies on the effects of air pollution in Mexico often use the environmental concentrations of monitors closest to the home as exposure proxies, yet this approach disregards the space gradients of pollutants and assumes that individuals have no intra-city mobility. Our aim was to develop high-resolution spatial and temporal models for predicting long-term exposure to PM2.5 and NO2 in a population of ~ 16 500 participants from the Mexican Teachers’ Cohort study. We geocoded the home and work addresses of participants. Using information from secondary sources on geographic and meteorological variables as well as other pollutants, we fitted two generalized additive models to predict monthly PM2.5 and NO2 concentrations in the 2004–2019 period. The models were evaluated through 10-fold cross validation. Both showed high predictive accuracy with out-of-sample data and no overfitting (CV RMSE = 0.102 for PM2.5 and CV RMSE = 4.497 for NO2). Participants were exposed to a monthly average of 24.38 (6.78) µg/m3 of PM2.5 and 28.21 (8.00) ppb of NO2 during the study period. These models offer a solid alternative for estimating PM2.5 and NO2 exposure with high spatio-temporal resolution for epidemiological studies in the Valle de México region.
PSYCHOSOCIAL PREDICTORS FOR THE INTENTION OF BRAZILIAN ELDERLY IN RECEIVING THE VACCINE AGAINST COVID-19
Authors: Coutinho Thales , Assunção Fernando , Dias Mariana , Moraes Thiago , Dias Natália 
Published: March 2021

Abstract
Once the immunizers are already available in the COVID-19 Pandemic, there is a need to identify the psychosocial factors that increase the positive attitude towards vaccines, particularly among the elderly. We investigated the role of psychosocial variables, which could affect the attitude towards the vaccines. Factors such as: uncertainty in relation to the vaccine, fear of COVID-19, political orientation, precisely the intention among the Brazilian elderly (>60 years, n = 328) to be vaccinated. There was a more positive intention towards Oxford-AstraZeneca in relation to Sinovac-CoronaVac. For the Oxford-AstraZeneca vaccine, less uncertainty regarding vaccines and greater fear of COVID-19 led the study to predict 26.6% of the intention to use it. In the case of Sinovac-CoronaVac, in addition to the previous variables, a left-wing political orientation led to a prediction of 44.3% in the intention to use it. It was also highlighted the importance of reducing uncertainty about vaccines in public campaigns to achieve older adults' mass vaccination.
Peroxidase isoenzymes from seedlings of VIGNA sp (V) landrace Vn: distribution and thermal stability
Authors: Mbassi Yves Mann Elate Lea , Bebandoue Marie Solange Evehe , Mbacham Wilfred Fon 
Published: March 2021

Abstract
Several soluble peroxidase isoenzymes are expressed in a landrace of Vigna sp cultivated in the north of Cameroon (landrace called Vn in previous study) during seed germination. There are at least two cathodic peroxidases and eight major anodic peroxidases as shown by their electrophoretic migration at pH 7.4 under native conditions. These isoperoxidases are more expressed in radicles than in shoots. They have different thermal stability, so that heat inactivation kinetics of crude peroxidase extracts from radicles does not fit the first-order model. One major anodic isoperoxidase of the slow migrating group and at least two others anodic isoperoxidases of the The slow and intermediate migrating groups of anodic isoperoxidasesanodic isoperoxidases are stable for ten minutes of incubation at 80°C and 85°C. The major anodic isoperoxidase of the The less anodic slow migrating groupisoperoxidase (named A6 in this study) shows in addition to this great thermal stability, a high activity during germination and is expressed both in radicles and shoots in large amounts. The combination of those characteristics makes thisthat isoperoxidase a a potential candidate for biotechnological applications.
Innovative Method for Obtaining Biologically Active Compounds from Brewery Mash
Authors: Kobelev Konstantin , Gernet Marina , Gribkova Irina 
Published: March 2021

Introduction. Brewery mash, or brewer’s spent grain (BSG), is a by-product of brewing industry. It is known to contain valuable biologically active substances. However, their extraction is complicated by the presence of various polymers. The research featured various physicochemical methods for obtaining valuable biological compounds from brewery waste. The new method modified complex non-starch polysaccharides, lignin, arabinoxylans, and other high-molecular compounds associated with phenolic compounds. The research objective was to solve the problem of recycling industrial by-products that accumulate in large quantities and require expensive processing or disposal. The paper introduces new technological approaches for deep processing of BSG as a source of secondary raw materials in order to obtain extracts fortified with polyphenolic compounds.
Study objects and methods. The research featured BSG from malt subjected to treatment with ECA-activated water (catholyte with pH 9.6 ± 0.1), followed by enzymatic hydrolysis of cellulolytic enzyme preparations and extraction with a polar solvent of the resulting free polyphenolic substances. The experiments were based on standard methods for assessing the content of various biologically active substances.
Results and discussion. A 70% water-ethanol solution proved to be optimal at the BSG:extractant ratio of 2:1, process temperature = 50 ± 2°C, and extraction time = 60 ± 5 min. Under the same conditions, 70 %vol. of beer distillate made it possible to extract phenolic acids, flavonoid rutin, irreplaceable and nonessential amino acids, and non-starch polysaccharide β-glucan from the BSG matrix. The BSG treatment with 1M NaOH solution delivered viscous hydrolysates fortified with flavonoids rutin and quercetin, which did not happen when acid hydrolysis was used. The combined use of ECA-treated water (catholyte with pH 9.6 ± 0.1) for 24 ± 0.05 h, combined with biocatalysis with the enzyme preparation Viskoflo MG for 2 ± 0.05 h, made it possible to obtain BSG extracts with a high content of phenolic acids and aldehydes, as well as flavonoid rutin.
Conclusion. The study revealed the mechanism of hydrolytic decomposition of BSG non-starch polysaccharides, considering the compounds contained in the extracts. The BSG hydrolysates fortified with various phenolic compounds can be used in various food technologies, e.g., in fermented drinks.
Flour Baking Mixes: Optimal Operating Parameters for Vibration Mixers
Authors: Borodulin Dmitry , Sukhorukov Dmitry , Musina Olga , Shulbaeva Margarita , Zorina Tatyana , Kiselev Dmitry , Miller Ekaterina 
Published: March 2021

Introduction. New long-storage flour baking mixes are a promising direction in the development of healthy diets. The research objective was to identify the rational parameters for using continuous vibration mixers in flour production.
Study objects and methods. The study featured wheat flour baking mixes. A correlation analysis helped to build mathematical models of the mixing process in vibration mixers using the sequential dilution method. By comparing the smoothing ability of several mixers, the authors identified their feasibility. The research included two full-factor laboratory experiments.
Results and discussion. The paper gives a brief review of modern mixing equipment and describes the effect of uneven feeding of bulk materials on the quality of the finished mixes. The vertical vibration mixers proved to be an optimal technical solution. The experiment featured the effect of the amplitude A (m), vibration frequency f (Hz), vibration angle β (°), and the height of the vibrofluidized bed on the process.
Conclusion. The research revealed the following optimal technological parameters: A = 0.0046 m, f = 33.48 Hz, the share of food salt = 0.05. Continuous vibration mixers provided uniform high-quality baking mixes.
Analysis of public policies and programmes towards water security in post-apartheid South Africa
Authors: Adom Richard Kwame , Simatele Mulala Danny 
Published: March 2021

AbstractMany countries in the world, including South Africa, are water-stressed with increasing pressure on their water resources due to population growth, climate change, and inadequate funding. Post-independence in 1994, many policies and programmes were introduced by the government with the aim of promoting water management. While these policies and strategies achieved much in terms of water provision to communities and households, they failed to establish a water-conscious country with sufficient knowledge and expertise in water management. In addition, these policies and programmes are outdated, compartmentalised, complex, and lack robust water governance with resilient stakeholder partnerships that advance the more explicit second phase of the National Development Plan (NDP) to achieve water security under the threat of climate change. Using data collection tools inspired by the traditional method of participatory research, this paper analyses the structural and systematic factors hindering the implementation of comprehensive policies to achieve water security in South Africa. There is, therefore, an urgent need for South Africa to establish an independent water regulator to ensure coordination between different government departments, including the National Treasury, to strengthen weak governance capacity and to make it independent to attract private equity into the sector and to recover fiscal deficits in the water sector.
An assessment of groundwater quality in South-West zone of Surat city
Authors: Chaudhari Ankit N. , Mehta Darshan J. , Sharma Dr. Neeraj D. 
Published: March 2021

Abstract
Groundwater quality alludes to the state of the water that is arranged under the Earth's surface. Groundwater can accumulate in breaks in subsurface rocks and the centre of soil particles. Since various blends can break down in water and others can be suspended in water, there is a potential for pollution with harmful mixes including significant particles like Electrical Conductivity (EC), Total Dissolved Solids (TDS), and many others, such as Ca, Cl, F, Mg, NO3, SO4, and Total Hardness. This study examines groundwater quality in the study area of the South-West zone of Surat city, Gujarat. The South-West zone of Surat city is situated on the shoreline, causing the groundwater of the concerned area to be highly affected by seawater intrusion. The present study determines the Ground Water Quality Index (GWQI) from the year 2006 to 2015. It also predicts the approximate groundwater quality for the next 10 years. The outcome of this study suggests the need for certain improvement in groundwater quality by an appropriate method such as managed aquifer recharging (MAR). It will be beneficial for the people mainly dependent on the groundwater, particularly living near the coastal region.
Study of flow over piano key weir of different plan shapes with free and partially submerged outlet conditions
Authors: Abhash Amiya , Pandey K. K. , Tripathi Ravi P. 
Published: March 2021

Abstract
Piano key weirs are being increasingly used for better flood passage downstream, both as a new structure or on top of hydraulic structures like a dam, to increase their discharging capacity as well as reservoir storage. Much research has been done on rectangular plan-form, while other plan-forms warrant attention. The present study focuses on two different plan geometries of PKW, i.e., rectangular (RPKW) and trapezoidal with angle α equal to 9 degrees (TPKW9) for their head-discharge relation in a wide channel of 0.984 m width under free-flow condition. Since the role of CFD is increasingly becoming prominent in present times, a numerical study using ANSYS-FLUENT was also carried out to ascertain its relevance in predicting flows around complex structures like PKW. Further, the tailgate was closed to render the PKW's outlet from partial to fully submerged conditions. The effect of these submerged outlets was studied for any changes in the discharging capacity of the PKW. The study shows RPKW to be more hydraulically efficient than TPKW9 for the model geometry. Further, the study finds that under partial to full submergence of PKW outlets, both PKW units' discharging capability remains unchanged.