bluuebunny/crossref_metadata_2025 huggingface dataset:
Humanitarian Action and Intra-Continental Migrant Children’s Education: Evidence from the Governance at the Grassroots in Nigeria
Authors: Olaiya Taiwo Akanbi
Published: August 2020

How does humanitarian action at the grassroots shape support for children of intra-continental migrant? Despite a large volume of research outputs and public policy advocacy on migration, there has been little work on the crucial nexus between local humanitarian efforts and migrant children’s educational needs. Conceptually, we viewed humanitarian action beyond the traditional definition as a tool for emergency response. We included efforts aimed at dignifying migrant children with basic education and enhancement of their integration in the new location. Cross-sectional data obtained from agencies of government at the grassroots were employed to measure the effects of local humanitarian action on the education of migrant children. The finding showed that institutionalised humanitarian efforts provide real-time support for basic education of migrant children. Also, burdensome obligations and lack of financial independence for governance at the grassroots curtailed the magnitude of assistance rendered by local authorities. Using Talcott Parson’s functionalist theory, we suggested three mutually transformative approaches. First, constraints by the upper levels of government– State and Federal tiers– exacerbate financial incapacitation and, ultimately, impede humanitarian effort at the grassroots. Second, provision of critical humanitarian needs, such as migrant children’s education, fosters social integration and crime control among migrants. Finally, intra-continental migration is not debased by acculturation. The findings showcase the need for strengthening the financial capacity of governance at the grassroots to reinforce common interests between migrants and host communities.
ADME Prediction with KNIME: In silico aqueous solubility models based on supervised recursive machine learning approaches
Authors: Falcón-Cano Gabriela , Molina Christophe , Cabrera-Pérez Miguel Angel
Published: August 2020

In-silico prediction of aqueous solubility plays an important role during the drug discovery and development processes. For many years, the limited performance of in-silico solubility models has been attributed to the lack of high-quality solubility data for pharmaceutical molecules. However, some studies suggest that the poor accuracy of solubility prediction is not related to the quality of the experimental data and that more precise methodologies (algorithms and/or set of descriptors) are required for predicting aqueous solubility for pharmaceutical molecules. In this study a large and diverse database was generated with aqueous solubility values collected from two public sources; two new recursive machine-learning approaches were developed for data cleaning and variable selection, and a consensus model based on regression and classification algorithms was created. The modeling protocol, which includes the curation of chemical and experimental data, was implemented in KNIME, with the aim of obtaining an automated workflow for the prediction of new databases. Finally, we compared several methods or models available in the literature with our consensus model, showing results comparable or even outperforming previous published models.
Effect of General Versus Spinal Anesthesia on Postoperative Delirium and Early Cognitive Dysfunction in Elderly Patients
Authors: Ehsani Roghayeh , Djalali Motlagh Soudabeh , Zaman Behrooz , Sehat Kashani Saloumeh , Ghodraty Mohammad Reza
Published: August 2020

Background: Postoperative cognitive dysfunction (POCD) and delirium are common in the elderly patients, given the controversial results of previous studies about the impact of anesthesia type on the occurrence of these complications. Objectives: This study was planned to compare the effects of general and spinal anesthesia on the prevalence of POCD and delirium. Methods: A single-blind non-randomized clinical trial. Setting was in two academic hospitals. Ninety-four patients over 50 years old scheduled for hip fracture fixation. Patients were divided into two groups to receive either general (GA) or spinal (SA) anesthesia. Both Mini-Mental State examination (MMSE) and Wechsler tests were used before the operation and 3 times postoperatively to assess the cognitive function and detect early POCD. The DSM-IV criteria were also used for the diagnosis of delirium. The incidence of delirium and POCD and their precipitating factors were compared between the two groups. Results: Ninety-four patients with a mean age of 67.12 years were studied. The overall prevalence of POCD and delirium was 17.02%; however, it was significantly higher in the GA group rather than the SA group, 29.7%, and 4.25%, respectively (P < 0.001). There was a significant relationship between age (P = 0.048), ASA class (P = 0.034), and educational level with the incidence of POCD, meaning that the probability of developing cognitive impairment decreases with patients’ higher level of education and lower ASA-physical status. Also, the rate of POCD in men was significantly higher than in women (P = 0.026). Conclusions: The finding of this study showed that, if there is no specific contraindication, neuraxial anesthesia may be preferred over general anesthesia in elderly patients.
Interview with Madeleine Chapsal
Authors: Foucault Michel , Kelly Mark G. E. ,   Philosophy Documentation Center
Published: August 2020

In this 1966 interview, published here in English translation for the first time, Michel Foucault positions himself as a representative of a ‘generation’ of French thinkers who turned towards the analysis of ‘structures’ and away from the phenomenological approaches that had previously dominated French philosophy. In this, Foucault claims inspiration not only from older French scholars—namely Georges Dumézil, Jacques Lacan, and Claude Lévi-Strauss—but also from the science of genetics.
Sur le progres des sciences
Authors: Matei Oana ,   Zeta Books
Published: August 2020

This paper investigates the Baconian roots of Maupertuis’s Lettre XIX. Sur le Progrès des Sciences (1752). The Letter was published almost a decade after Maupertuis had accepted Frederick II’s invitation to move from Paris to Berlin and become the new President of the Prussian Academy of Sciences. Contrary to the secondary literature that identifies a distinction between Maupertuis’s Parisian and Berliner phases, this paper argues that there is in fact greater continuity between the two. Based on a reading that empha­sizes the programmatic and methodological commonalities between Bacon’s project in De augmentis scientiarum (1623) and Maupertuis’s Lettre XIX, this paper argues that, in a Baconian fashion, Maupertuis combines the roles of the “scientist” and the “natural philosopher” into an integrated plan of action with both intellectual an institutional aims. One of Maupertuis’s aims was to highlight the importance of observation and experiment not only in the development of natural philosophy but also for some aspects of speculative philosophy, while another of his aims was to reinvigorate the structure of the Berlin Academy and to model it the fashion of other similar European intellectual projects of that time.
Foreigners in Pre-Modernity
Authors: Strohschneider Peter ,   Zeta Books
Published: August 2020

The essay draws on the concept of ‘asymmetric counter-concepts’ as developed by Reinhart Koselleck starting with twin-formulas such as ‘the familiar and the unfamiliar’ which are generally used to establish collective des­ignations of the self and others and which institutionalize the axiological and the epistemological. These counter-concepts can have different semantic temperatures. The focus is on the underlying meaning-production schemes which produce value-asymmetries. The essay tries to show that a process of heating up these value-asymmetries is only one side of the history of such asymmetric counter-concepts from medieval to modern times. Simultaneously a cooling down can be observed in written texts from different periods; examples include the 12th century Rolandslied and the 16th century Essais of Michel de Montaigne. Full negation eliminates uncertainties and value insecurities. But the complexities and contingencies that emerge since Early Modern times then lead to losses of negatability (Negierbarkeitsverluste), which in turn render gains in unfamiliarity. The modern experience of the foreign is indeterminate otherness instead of determined negation that characterized pre-modern alterity. Modern societies therefore need to mediate between validity and contingency under the circumstances of plurality. Interpretational demands and uncertainty about the relevant interpretive frames increase. Foreignness is then experienced as unfamiliarity. This presupposes intellectual attitudes like irritability, curiosity, and willingness to learn. The modern concept of ‘culture’ then is proposed as a comparative pattern where only unavoidable structural asymmetry remains. It explains cultural differences and the experience of foreignness through heterogeneity. Using this specifically modern pattern, there is no longer a legitimate value slope between one’s own position and its negation. The distinction is then between the familiar and the unfamiliar.
Educação financeira sob a ótica da análise bibliométrica embasada no portal SPELL
Authors: Ribeiro Silvio Paula , Rizzo Marçal Rogério , Scarausi Vanessa Goulart Sant'Ana
Published: August 2020

O termo ‘Educação Financeira’ abriga múltiplos propósitos, entre eles: finanças pessoais, orçamento pessoal, equilíbrio/planejamento financeiro, investimento, rendimentos entre outros. Este artigo tem como objetivo apresentar resultados de uma pesquisa científica de caráter exploratório e descritivo, utilizando a abordagem qualitativa e análise bibliométrica, a partir da utilização de dados secundários. Para a realização deste estudo, foram pesquisados artigos pertinentes ao tema publicados no portal SPELL até dezembro de 2019. Observa-se que por meio da palavra-chave: ‘Educação Financeira’ foram encontrados 26 artigos públicos no portal, sendo o primeiro publicado no ano de 2005. O ano de 2017 obteve o maior número de publicações: cinco (5) artigos publicados. Inferimos que houve o interesse de pesquisa sobre a Educação Financeira nos últimos anos, evidenciando que o tema vem ganhando espaço nas esferas administrativas e sociais.
Contribuições da gestão por competências na administração pública: um estudo no Instituto Brasileiro de Geografia e Estatística da Paraíba
Authors: Almeida Neto Hélio Santa Cruz , Barbosa Maria de Fátima Nóbrega , Barbosa Erivaldo Moreira
Published: August 2020

A eficiência é um dos princípios constitucionais que dirige a atividade da Administração Pública. Embora tenha uma face de racionalização dos gastos, a ideia de eficiência também exige o aperfeiçoamento do desempenho das instituições públicas. Essa busca por melhoria no desempenho tem ocorrido no contexto da Nova Gestão Pública, a qual preconiza a utilização de ferramentas da gestão privada que possam ser úteis à realidade da administração pública. Nesse sentido, tem se destacado a utilização da gestão por competências como instrumento apto a incrementar a administração das organizações públicas. A presente pesquisa teve como objetivo principal identificar quais as contribuições da gestão por competências ao desempenho do IBGE na Paraíba. Tratou-se de uma pesquisa de campo do tipo exploratório-descritiva, que partiu de uma abordagem qualitativa e utilizou, para o levantamento de dados, observação direta, pesquisa documental e entrevistas semiestruturadas com servidores que ocupam posições gerenciais na instituição estudada. Após a análise dos dados, os resultados da pesquisa indicaram que os principais embaraços ao desempenho do IBGE na Paraíba estão relacionados à forma como a organização enxerga e gerencia seus servidores. Também foi possível mapear as competências individuais e organizacionais fundamentais ao cumprimento da missão institucional da organização estudada. Ao final, foram apresentadas proposições que têm o condão de melhorar a gestão de pessoas e o desempenho no ambiente da pesquisa, por meio de intervenções que coloquem em prática as ideias da gestão por competências no órgão.
Comparison of Mixed and Multiplicative Models when Trend Cycle Component is Linear
Authors: Dozie Kelechukwu C. N. , Nwanya Julius C.
Published: August 2020

The purpose of this study is to present the linear trend cycle component with the emphasis on the choice between mixed and multiplication models in time series analysis. Most of the existing studies have adequately dwelt more on choice of model between additive and multiplicative, with little or no regards to the mixed model. The main aim of this study is to compare the row, column and overall means and variances for mixed and multiplicative models using Buys-Ballot table for seasonal time series. Specific objectives are 1) to obtain and compare the expected values of means for mixed and multiplicative models 2) to estimate and compare trend parameters and seasonal indices (when there is no trend, that is (b = 0)). The study indicate that column variances ( ) of the Buys-Ballot table depends on the season j only through the square of the seasonal effect for mixed model and it is for multiplicative model, a quadratic function of the column j and square of the seasonal effect .
Risk Assessment of Selenium and Boron Pollutants in Environment
Authors: Almutari Mohammad M.
Published: August 2020

According to the literature, there are increasingly more scientific data regarding the environmental pollution of selenium(Se) and the boron(B). The purpose of this review is to give an overview of environmental pollutants for Se andB and the use of plants to alleviate worldwide problems associated with Se and B toxicity. Selenium is an essential element for many species, plant, as well as humans, but it is toxic at higher levels. Boron is relatively soluble in water and commonly causes environmental problems, especially for surface waters where most of the discarded B will end up. Using phytoremediation plants can address this problem. To prevent Se and B toxicity due to excess environmental Se or B, plants may be used to phytoremediate to take up Se and B from soil or water. Research in the past decades had provided a riches ofknowledge regarding the mechanisms by which plants uptake, metabolize, and accumulate Se or B.  Moreover, environment studies have revealed the important effects for plantsuptake of Se or B and interactions with herbivores, pollinators, neighbouring vegetation.
Fatal Human Babesiosis in a Nine-Year Old Nigerian Girl
Authors: Ahmad Murtala Muhammad , Mohammed Yahaya , Jiya Nma Muhammed , Jibrin Baba , Zainu Sabitu Muhammad , Legbo Joy Fatima , Abubakar Fatima , Jimoh Ahmed Kolawole
Published: August 2020

Background: Babesiosis is a rare emerging opportunistic disease in humans. It is a zoonotic disease caused by protozoan parasites of the genus Babesia and transmitted by Ixodid tick vector. It is often incidentally diagnosed because of its rarity but may be severe or fatal in presentation, particularly in immunocompromised hosts.

Aim: To reportthe clinical presentationof a fatal case of human babesiosis in a nine-year old girlwith retroviral disease, in Sokoto, Northern Nigeria.

Case Report: A nine-year old girl presented with a month history of unremitting fever, cough and weight loss, There was no history of contact with someone with chronic cough and no diarrhoea. She was diagnosed to have retroviral disease (RVD) at age of three (3) years consequent to her mother’s positive test but only the mother was on antiretroviral treatment, due to the claim that the child had remained healthy. Review of her blood film during third week of admission revealed characteristic tetrads (maltese-cross formation) pathognomonic of babesial infection. She was started on anti-babesial treatment with quinine and clindamycin. She succumbed to the illness within second week of anti-babesial treatment.

Conclusion: This report suggested that babesiosis should be a high index of suspicion especially in immunocompromised patients with persistent fever.
Carbon Based Kajal Formulations: Antimicrobial Activity and Feasibility as a Semisolid Base for Ophthalmics
Authors: Randive Dheeraj S. , Bhinge Somnath D. , Jadhav Namdeo R. , Bhutkar Mangesh A. , Shirsat Mrunal K.
Published: August 2020

Study aimed to prepare and evaluate carbon based kajal formulation and carry out its comparative evaluation with the marketed formulations of kajal.

Initially, carbon soot was deposited on Aloe vera mucilage spreaded on a copper plate, in specifically designed apparatus. Subsequently, sun dried plate was allowed to expose to the flame of cow ghee for 1 hr. Soot which was deposited on the copper plate was scrapped and Characterization of Soot by SEM, TEM, FTIR, XRD and EDX was carried out and kajal was prepared by adding few drops of cow ghee to it. The kajal was compared with the five marketed kajal formulations available in India, on the basis of physical characteristics their antibacterial potential was also assessed against Pseudomonas aeruginosa, Staphylococcus aureus and Escherichia coli.

All the formulations exhibited almost similar physical characteristics. The prepared kajal showed pH (7.06±0.13). The antimicrobial activity of the marketed formulations was comparatively less than that of freshly prepared exhibiting zone of inhibition 13.05±0.11, 20.08± 0.13 and 22.06±0.18 mm against Pseudomonas aeruginosa, Staphylococcus aureus, and   E. coli respectively. EDX spectra, revealed that the cow ghee soot have the weight percentage of carbon and copper as 79.20 and 17.10% respectively and Confirmed the absence of Lead (Pb). The eye irritation test (OECD 405) also showed no any irritation, redness, watering of the eye or swelling was not observed for prepared formulation in test animal. Prepared Kajal can be safely used for beatification and also in the treatment of eye diseases especially in pediatrics.
Seroprevalence and Associated Risk Factors of Hepatitis B Virus Infection in Bouaké, Côte D´Ivoire
Authors: Diarrassouba A. , Toure S. F. , Karidioula Y. L. C. , Konan A. M. , Traoré A. , Monemo P. , Anoh E. A. , Karidioula S. , Tadet J. O. N. , Adon S. D. , Asse R. , Koffi C. Akoua-
Published: August 2020

Aim: Determine the prevalence of serological markers and identify risk factors associated with Hepatitis B Virus (HBV) infection in patients screened at the Bouake teaching hospital.

Study Design: Retrospective cross sectional study was conducted

Study Site and Period: Bacteriology-Virology Laboratory/Bouake teaching hospital, Côte d´Ivoire, from April 2016 to January 2018.

Methodology: In all 1076 study participants, venous blood sample was collected and screened for HBV surface antigen (HBsAg) and antibody against HBV core antigen (anti-HBc), by electrochemical-luminescence following the manufacturer protocols.  Additionally, questionnaires were used to collect information regarding sociodemographic variables and possible risk factors for hepatitis B infection.  Data were processed and analyzed using EPI INFO 7 software.

Results: A total of 1076 participants were included in this study with a median age of 30.0 years (range: 3 months; 82 years). Of which, 514 (48%) were female and 562 (52%) were male with female / male ratio 1.09. HBsAg was detected in 24,3% of participants and 82 1 (76,3%) were exposed to the risk of HBV infection (anti-HBc positive). High rate of HBV infection was detected in male (27.93%) (p=0.003). The age group of 15–45 years were more infected (27.18%) (p<0.0001). The detection rate of HBe antigen (HBeAg), anti-HBe and anti-HBc (total antibodies) were respectively 12%; 86% and 7%. Of 938 participants who were not vaccinated against HBV, 240 (25.58%) were HBsAg-positive. HBV vaccine uptake was protective against HBV infection (AOR =0.580; 95% CI 0.359-0.938; p=0.024).

Conclusion: The rate of carriage of HBs antigen was higer than national rate, which confirms that Bouake is a highly endemic area for HBV infection. Vaccination against Hepatitis B virus is the only way to prevent and to fight effectively against this infection. It is therefore important to encourage the screening and vaccination in the general population.
Congenital Rubella Infections among the Pregnant Women at a Tertiary Care Hospital in Karachi, Pakistan
Authors: Sattar Madiha , Ibrahim Urooj , Ilyas Sehrish , Bibi Safia , Fatima Ghulam
Published: August 2020

Introduction: Rubella virus is an important human pathogen that causes an acute and contagious disease known as rubella and also, causes congenital rubella syndrome more commonly occur during the first trimester of pregnancy. The incidence of CRS varies in different populations and the highest burden found in developing countries where rubella vaccination is not included in their national immunization programs. Therefore, the aim of this study was to determine the burden of CRS-related birth defects and its incidence in the pre-vaccine era in Karachi Pakistan.

Objective: The aim of the study to determine the rate of congenital rubella infection among the pregnant women at a Tertiary Care Hospital.

Methods: The retrospective descriptive cross sectional study was conducted in different departments of Dr Ruth PFAU Civil Hospital Karachi, including Eye OPD and Pediatric units from Jan 2016 till December 2019. The medical records of clinically suspected infants or confirmed cases were reviewed. The confirmed cases were positive for maternal IgM rubella antibodies and tested by ELISA (Enzyme Linked immunosorbant assay) where as the rubella IgM antibodies in suspected infants were lost to follow. Inclusion criteria were infants admitted less than or equal to 1 year of age with history of either congenital cataract, congenital glaucoma, pigmented retinopathy, congenital heart defects like (patent ductus arteriosus, periphery pulmonary stenosis, ventricular septal defects), hearing impairment, deafness or microcephaly were included in the study.

Results: Out of total 142 infants that were admitted in the hospital during 4 years period from 2016 to 2019 only 7 (4.93%) infants were diagnosed as confirmed cases of congenital rubella infection where as 14 (9.86%) infants were found to be clinically suspected. The ocular manifestation were more common among 6 infants which presented with cataract (85.7%) and 2 infants presented with pigmented retinopathy (28.6%). Besides this other manifestations like developmental delay were seen in only 2 patients DD (28.6%) and 3 infants presented with congenital heart diseases CHD (42.9%). The combinations of clinical features of congenital heart defect with cataract and developmental delay were seen in only 1 infant whereas cataract with pigmented retinopathy and developmental delay was seen in 1 infant and 2 infants presented with combination of congenital heart defects and cataracts.

Conclusion: Our study reported the rate of congenital rubella infection was 4.93% in a four years study period. Therefore, with a rising trend in congenital rubella infections in the last past years there is a need to built strong surveillance system and to introduce a childhood immunization in the national immunization program to eliminate the Rubella infection.
Loops linking secondary structure elements affect the stability of the molten globule intermediate state of apomyoglobin
Authors: Majorina Maria A. , Balobanov Vitaly A. , Uversky Vladimir N , Melnik Bogdan S.
Published: August 2020

Apomyoglobin is a widely used model for studying the molecular mechanisms of globular protein folding. This work aimed to analyze the effects of rigidity and length of loops linking protein secondary structure elements on the stability of the molten globule intermediate state. For this purpose, we studied folding/unfolding of mutant apomyoglobin forms with substitutions of loop‐located proline residues to glycine and with loop extension by three or six glycine residues. The kinetic and equilibrium experiments performed gave an opportunity to calculate free energies of different apomyoglobin states. Our analysis revealed that the mutations introduced into the apomyoglobin loops have a noticeable effect on the stability of the intermediate state compared to the unfolded state.
Voxel‐based supervised machine learning of peripheral zone prostate cancer using noncontrast multiparametric MRI
Authors: Gholizadeh Neda , Simpson John , Ramadan Saadallah , Denham Jim , Lau Peter , Siddique Sabbir , Dowling Jason , Welsh James , Chalup Stephan , Greer Peter B.
Published: August 2020

Purpose

The aim of this study was to develop and assess the performance of supervised machine learning technique to classify magnetic resonance imaging (MRI) voxels as cancerous or noncancerous using noncontrast multiparametric MRI (mp‐MRI), comprised of T2‐weighted imaging (T2WI), diffusion‐weighted imaging (DWI), and advanced diffusion tensor imaging (DTI) parameters.

Materials and methods

In this work, 191 radiomic features were extracted from mp‐MRI from prostate cancer patients. A comprehensive set of support vector machine (SVM) models for T2WI and mp‐MRI (T2WI + DWI, T2WI + DTI, and T2WI + DWI + DTI) were developed based on novel Bayesian parameters optimization method and validated using leave‐one‐patient‐out approach to eliminate any possible overfitting. The diagnostic performance of each model was evaluated using the area under the receiver operating characteristic curve (AUROC). The average sensitivity, specificity, and accuracy of the models were evaluated using the test data set and the corresponding binary maps generated. Finally, the SVM plus sigmoid function of the models with the highest performance were used to produce cancer probability maps.

Results

The T2WI + DWI + DTI models using the optimal feature subset achieved the best performance in prostate cancer detection, with the average AUROC , sensitivity, specificity, and accuracy of 0.93 ± 0.03, 0.85 ± 0.05, 0.82 ± 0.07, and 0.83 ± 0.04, respectively. The average diagnostic performance of T2WI + DTI models was slightly higher than T2WI + DWI models (+3.52%) using the optimal radiomic features.

Conclusions

Combination of noncontrast mp‐MRI (T2WI, DWI, and DTI) features with the framework of a supervised classification technique and Bayesian optimization method are able to differentiate cancer from noncancer voxels with high accuracy and without administration of contrast agent. The addition of cancer probability maps provides additional functionality for image interpretation, lesion heterogeneity evaluation, and treatment management.
Psychosis caused by cannabis: Intoxication or induced?
Authors: Knopf Alison
Published: August 2020

Telling the difference between primary psychosis, cannabis intoxication and cannabis‐induced psychosis is challenging but important, especially now that it's known that almost 50% of cannabis‐induced psychosis precedes primary psychosis. A fictional case study reported in Paediatrics & Child Health makes these challenges come to life. But the purpose of the case study is only as an introduction to the meat of the article, which is how to differentiate between the three. The authors are psychiatrists from Canada.
Feds charge Florida addiction doctor with billing fraud
Authors: Knopf Alison
Published: August 2020

Last month, the U.S. Department of Justice arrested Michael J. Ligotti, D.O., of Delray Beach, Florida, for billing Medicare and private insurance companies for $681 million in unnecessary urine tests. Ligotti owned and operated Whole Health, a private clinic, which offered addiction and other treatment programs, and he also was the “medical director” of more than 50 addiction treatment programs and sober homes.
Mechanical and Tribological Performances Enhanced by Self‐Assembled Structures
Authors: Xue Zhenjie , Li Xiao , Chen Xiangyu , Huang Chuanhui , Ye Haochen , Li Ailin , Wang Tie
Published: August 2020

Taking inspiration from natural materials, composite materials can be reinforced by creating matrix architectures that can better accommodate and control internal stresses. Despite the recent success in the synthesis of artificial assemblies for local reinforcement through the introduction of oriented fibers and plates into host multilayered composites, there is a lack of fundamental understanding of the factors that determine mechanical properties. Moreover, designing building blocks and interfaces that facilitate higher resistance and energy dissipation is highly challenging. When the intrinsic material is fixed, the mechanical and tribological properties can be further adjusted. In this study, europium oxide nanosheets are arranged in interlocked‐junction superstructures that resist sliding at junction points, thereby enhancing the mechanical properties of the nanosheet assemblies compared to those of the conventional face‐to‐face superstructures formed by parallel nanosheets. Furthermore, the crystalline origin of building blocks is revealed by demonstrating that faulty crystal nanosheets adopting an amorphous structure are different from single‐crystal nanosheets, with the former exhibiting superior mechanical reinforcement and improved abrasive resistance.
Oilseed rape straw returning changes soil reducibility and affects the root and yield of rice in the rape‐rice rotation field at Sichuan Basin area of China
Authors: Wang Hongni , Yang Guotao , Wang Xuechun , Zhao Changkun , Muhammad Noor , Chen Yongjun , Hu Yungao
Published: August 2020

To elucidate the influence of rape straw returning on soil reducibility and to understand its effects on rice growth and yield in rape‐rice rotation system, 3 years field experiment with 8 treatments of straw incorporation carried out at Mianyang Sichuan Province of China. Results showed that the lowest RCEh value founded at 14–18 d after rice planting; With the increasing of rape straw incorporation, the amount of root (number, weight and length) and root bleeding intensity both increased significantly during 27–32 d after rice planting; 0–20 d are the fast decomposing period of rape straw in rice field. At 10–22 d after rice planting, there is negative correlation between rice root growth and soil reducibility and a negative correlation between rice root and straw incorporation. Oil seed rape straw returning into soil, either by mulching or by ploughing, make the soil more reducible with lower Eh and higher content of reducing material, Fe2+ and hinder the growth of rice root with lower amount (length, weight and number) and bleeding density during this period. Comparing with other straw returning methods, straw returning by ploughing method with the rape straw of 3.0 t/hm2 is more suitable in rice‐rape rotation farms where is convenient for mechanical operation.
Leukoencephalopathy in Al‐Raqad syndrome: Expanding the clinical and neuroimaging features caused by a biallelic novel missense variant in DCPS
Authors: Masoudi Maryam , Bereshneh Ali Hosseini , Rasoulinezhad Maryam , Ashrafi Mahmoud Reza , Garshasbi Masoud , Tavasoli Ali Reza
Published: August 2020

Al‐Raqad syndrome (ARS) is a rare autosomal recessive congenital disorder, associated mainly with developmental delay, and intellectual disability. This syndrome is caused by mutations in DCPS, encoding scavenger mRNA decapping enzyme, which plays a role in the 3‐prime‐end mRNA decay pathway. Whole‐exome sequencing was performed on an offspring of a consanguineous family presenting with developmental delay, intellectual disability, growth retardation, mild craniofacial abnormalities, cerebral and cerebellar atrophy, and white matter diffuse hypomyelination pattern. A novel biallelic missense variant, c.918G>C p. (Glu306Asp), in the DCPS gene was identified which was confirmed by sanger sequencing and segregation analysis subsequently. Few cases of ARS have been described up to now, and this study represents a 7‐years‐old boy presenting with central and peripheral nervous system impaired myelination in addition to ocular and dental manifestation, therefore outstretch both neuroimaging and clinical findings of this ultra‐rare syndrome.
The Enzyme‐Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid
Authors: Jovanovic Dejana , Tremmel Peter , Pallan Pradeep S. , Egli Martin , Richert Clemens
Published: August 2020

Phosphoramidates composed of an amino acid and a nucleotide analogue are critical metabolites of prodrugs, such as remdesivir. Hydrolysis of the phosphoramidate liberates the nucleotide, which can then be phosphorylated to become the pharmacologically active triphosphate. Enzymatic hydrolysis has been demonstrated, but a spontaneous chemical process may also occur. We measured the rate of enzyme‐free hydrolysis for 17 phosphoramidates of ribonucleotides with amino acids or related compounds at pH 7.5. Phosphoramidates of proline hydrolyzed fast, with a half‐life time as short as 2.4 h for Pro‐AMP in ethylimidazole‐containing buffer at 37 °C; 45‐fold faster than Ala‐AMP and 120‐fold faster than Phe‐AMP. Crystal structures of Gly‐AMP, Pro‐AMP, βPro‐AMP and Phe‐AMP bound to RNase A as crystallization chaperone showed how well the carboxylate is poised to attack the phosphoramidate, helping to explain this reactivity. Our results are significant for the design of new antiviral prodrugs.
Construction of P‐Chiral Alkenylphosphine Oxides through Highly Chemo‐, Regio‐, and Enantioselective Hydrophosphinylation of Alkynes
Authors: Dai Qiang , Liu Lu , Qian Yanyan , Li Wenbo , Zhang Junliang
Published: August 2020

Alkenylphosphine oxides have a wide spectrum of practical applications. However, chemo‐, regio‐, and enantiocontrolled construction of this structural motif still constitutes a significant synthetic challenge. Here we show that these compounds can be efficiently accessed by using a palladium/Xiao‐Phos catalytic system, which leads to the highly regioselective formation of the anti‐Markovnikov adducts through addition of a secondary phosphine oxide to an alkyne. Diverse (hetero)aryl and alkyl alkynes, as well as both terminal and internal alkynes can be employed as substrates. The kinetic resolution process makes it possible to produce alkenylphosphine oxide and recovered secondary phosphine oxides with high ee values. Further transformations of these two P‐chiral scaffolds confirm the high practicability and application prospect of our synthetic strategies. Initial mechanistic studies strongly suggested that hydropalladation is likely responsible for the conversion process.
Photocatalysis Enhanced by External Fields
Authors: Hu Cheng , Tu Shuchen , Tian Na , Ma Tianyi , Zhang Yihe , Huang Hongwei
Published: August 2020

The efficient conversion of solar energy by means of photocatalysis shows huge potential to relieve the ongoing energy crisis and increasing environmental pollution. However, unsatisfactory conversion efficiency still hinders its practical application. The introduction of external fields can remarkably enhance the photocatalytic performance of semiconductors from the inside out. This review focuses on recent advances in the application of diverse external fields, including microwaves, mechanical stress, temperature gradient, electric field, magnetic field, and coupled fields, to boost photocatalytic reactions, for applications in, for example, contaminant degradation, water splitting, CO2 reduction, and bacterial inactivation. The relevant reinforcement mechanisms of photoabsorption, the transport and separation of photoinduced charges, and adsorption of reagents by the external fields are highlighted. Finally, the challenges and outlook for the development of external‐field‐enhanced photocatalysis are presented.
Stereospecific Reactions Leading to Allylboronic Esters Within Acyclic Systems Bearing Distant Stereocenters
Authors: Pierrot David , Marek Ilan
Published: August 2020

The preparation of acyclic molecules featuring congested stereocenters in a 1,4‐relationship in only three catalytic steps from commercially available building blocks is reported. This approach involves a diastereoselective diboration of alkenyl cyclopropyl methanol derivatives followed by a regioselective exergonic ring fragmentation. The starting materials can be prepared enantiomerically enriched and all substituents can be interconverted, therefore, this strategy allows a large variety of diversely functionalized allylboronic esters possessing distant tetrasubstituted stereocenters with high diastereoselectivity.
para‐Selective Arylation of Arenes: A Direct Route to Biaryls by Norbornene Relay Palladation
Authors: Dutta Uttam , Porey Sandip , Pimparkar Sandeep , Mandal Astam , Grover Jagrit , Koodan Adithyaraj , Maiti Debabrata
Published: August 2020

Biaryl compounds are extremely important structural motifs in natural products, biologically active components and pharmaceuticals. Selective synthesis of biaryls by distinguishing the subtle reactivity difference of distal arene C−H bonds are significantly challenging. Herein, we describepara‐selective C−H arylation, which is acheived by a unique combination of ameta‐directing group and norbornene as a transient mediator. Upon directmeta‐C−H palladation, one‐bond relay palladation occurs in presence of norbornene and subsequentlypara‐C−H arylation is achieved for sulfonates, phosphonates and phenols bearing 2,6‐disubstitution patterns. The protocol is amenable to electron‐deficient aryl iodides. Multisubstituted arenes and phenols are obtained by postsynthetic modification of the products. The protocol allows the synthesis of hexa‐substituted benzene by sequential selective distal C−H functionalization.
Enzyme Conformation Influences the Performance of Lipase‐powered Nanomotors
Authors: Wang Lei , Marciello Marzia , Estévez‐Gay Miquel , Soto Rodriguez Paul E. D. , Luengo Morato Yurena , Iglesias‐Fernández Javier , Huang Xin , Osuna Sílvia , Filice Marco , Sánchez Samuel
Published: August 2020

Enzyme‐powered micro/nanomotors have myriads of potential applications in various areas. To efficiently reach those applications, it is necessary and critical to understand the fundamental aspects affecting the motion dynamics. Herein, we explored the impact of enzyme orientation on the performance of lipase‐powered nanomotors by tuning the lipase immobilization strategies. The influence of the lipase orientation and lid conformation on substrate binding and catalysis was analyzed using molecular dynamics simulations. Besides, the motion performance indicates that the hydrophobic binding (via OTES) represents the best orienting strategy, providing 48.4 % and 95.4 % increase in diffusion coefficient compared to hydrophilic binding (via APTES) and Brownian motion (no fuel), respectively (with C[triacetin] of 100 mm). This work provides vital evidence for the importance of immobilization strategy and corresponding enzyme orientation for the catalytic activity and in turn, the motion performance of nanomotors, and is thus helpful to future applications.
Enabling Racemization of Axially Chiral Subphthalocyanine‐Tetracyanobutadiene‐Aniline Enantiomers by Triplet State Photogeneration
Authors: Lavarda Giulia , Bhattacharjee Nicholus , Brancato Giuseppe , Torres Tomás , Bottari Giovanni
Published: August 2020

In recent years, several tetracyanobuta‐1,3‐diene (TCBD) conjugates have been prepared by linking the tetracyano unit to various electroactive moieties. These push–pull conjugates, besides showing interesting physicochemical properties, are axially chiral, a feature arising from the restricted rotation around the central bond of the butadiene. Yet, only in a few cases, separation and isolation of the enantiomers have been successfully achieved, owing to the configurational lability of the corresponding enantiopure species. Herein, we report the first example of photo‐ and electroactive TCBD‐based derivatives showing unprecedented configurational stability and a peculiar light‐triggered enantiomer conversion mechanism enabled by triple‐state photogeneration. These systems represent a nice addition to the fast‐increasing arsenal of artificial, light‐controllable molecular switches.
Preparation of small particle diameter thermally expandable microspheres under atmospheric pressure for potential utilization in wood
Authors: Yi Qirui , Li Jingyu , Zhang Runhua , Ma Erni , Liu Ru
Published: August 2020

Small particle diameter thermally expandable microspheres (TEMs) were obtained for potential utilization in wood, with special attention on their particle diameters and expansion properties. The revolving speed of homogenization (RS) of 800 ~ 3000 r min−1was applied in suspension polymerization under atmospheric pressure to prepare TEMs, withn‐hexane as core material and the copolymer of acrylonitrile, methyl acrylate, and vinyl acetate as shell. (a) The effect of the RS on the particle diameters of TEMs presented a negative correlation at low RS and remained stable at high RS, (b) When the RS was 1900 ~ 2100 r min−1, the optimized TEMs with average particle diameters of 3.82 ~ 4.06 μm were prepared, possessing expansion ratios of 3.4 ~ 4.3 and an expansion temperature of 112°C, (c)The optimized TEMs had core‐shell structure and high encapsulated content of alkane, and (d) The TEMs with small particle diameters could be impregnated into wood and expand successfully in wood cell lumens.
New nanodrug design for cancer therapy: Its synthesis, formulation, in vitro and in silico evaluations
Authors: Budama‐Kilinc Yasemin , Kecel‐Gunduz Serda , Ozdemir Burak , Bicak Bilge , Akman Gizem , Arvas Busra , Aydogan Feray , Yolacan Cigdem
Published: August 2020

The aim of this study was to develop a novel nanosize drug candidate for cancer therapy. For this purpose, (S)‐methyl 2‐[(7‐hydroxy‐2‐oxo‐4‐phenyl‐2H‐chromen‐8‐yl)methyleneamino]‐3‐(1H‐indol‐3‐yl)propanoate (ND3) was synthesized by the condensation reaction of 8‐formyl‐7‐hydroxy‐4‐phenylcoumarin with l‐tryptophan methyl ester. Its controlled release formulation was prepared and characterized by different spectroscopic and imaging methods. The cytotoxic effects of ND3 and its controlled release formulation were evaluated against MCF‐7 and A549 cancer cell lines, and it was found that both of them have a toxic effect on cancer cells. For drug design and process development, the molecular docking analysis technique helps to clarify the effects of some DNA‐targeted anticancer drugs to determine the interaction mechanisms of these drugs on DNA in a shorter time and at a lower cost. By using the molecular docking analysis and DNA binding assays, the interaction between the synthesized compound and DNA was elucidated and non‐binding interactions were also determined. To predict the pharmacokinetics, and thereby accelerate drug discovery, the absorption, distribution, metabolism, excretion and toxicity values of the synthesized compound were determined by in silico methods.
Improvement of Signs and Symptoms of Nonradiographic Axial Spondyloarthritis in Patients Treated With Secukinumab: Primary Results of a Randomized, Placebo‐Controlled Phase III Study
Authors: Deodhar Atul , Blanco Ricardo , Dokoupilová Eva , Hall Stephen , Kameda Hideto , Kivitz Alan J. , Poddubnyy Denis , van de Sande Marleen , Wiksten Anna S. , Porter Brian O. , Richards Hanno B. , Haemmerle Sibylle , Braun Jürgen
Published: August 2020

Objective

To report the primary (1‐year) results from PREVENT, the first phase III study evaluating secukinumab in patients with active nonradiographic axial spondyloarthritis (SpA).

Methods

A total of 555 patients were randomized (1:1:1) to receive subcutaneous secukinumab 150 mg with a loading dose (loading dose [LD] group), secukinumab 150 mg without a loading dose (non–loading dose [NL] group), or placebo weekly and then every 4 weeks starting at week 4. The NL group received placebo at weeks 1, 2, and 3 to maintain blinding. Switch to open‐label secukinumab or standard of care was permitted after week 20. The study had 2 independent analysis plans, per European Union and non‐US (plan A; week 16) and US (plan B; week 52) regulatory requirements. The primary end point was 40% improvement in disease activity according to the Assessment of SpondyloArthritis international Society (ASAS40) criteria at week 16 (in the LD group) and at week 52 (in the NL group) in tumor necrosis factor inhibitor (TNFi)–naive patients. Safety analyses included all patients who received ≥1 dose of study treatment.

Results

Overall, 481 patients completed 52 weeks of treatment, including 84.3% (156 of 185) in the LD group, 89.7% (165 of 184) in the NL group, and 86.0% (160 of 186) in the placebo group. The proportion of patients who switched to open‐label or standard of care between weeks 20 and 48 was 50.8% in the LD group, 47.3% in the NL group, and 64.0% in the placebo group. Both primary and all secondary end points were met at week 16. The proportion of TNFi‐naive patients who met ASAS40 was significantly higher for LD at week 16 (41.5%) and NL at week 52 (39.8%) versus placebo (29.2% at week 16 and 19.9% at week 52; both P < 0.05). No new safety findings were reported.

Conclusion

Our findings indicate that secukinumab 150 mg provides significant and sustained improvement in signs and symptoms of nonradiographic axial SpA through 52 weeks. Safety was consistent with previous reports.
Identification of a xylose‐inducible promoter and its application for improving vitamin B12 production in Sinorhizobium meliloti
Authors: Liu Zhenquan , Dong Huina , Wu Xiangying , Fang Huan , Cong Lina , Zhu Beiwei , Zhang Dawei
Published: August 2020

Sinorhizobium meliloti 320 is a vitamin B12 (VB12) high‐producing strain that has been isolated and identified in our previous study. Because the regulatory toolbox for S. meliloti is limited, we searched for new genetic components and identified the two xylose‐inducible promoters PA and PB based on a promoter‐probe vector with a green fluorescent protein (GFP) as reporter. Compared with the ParaA promoter from S. meliloti, both promoters exhibited higher induced expression and lower basal expression. Subsequently, the influence of glucose or sucrose on the expression of GFP driven by these three promoters was assayed. Glucose repressed all three promoters, and the expression of ParaA was the lowest in the presence of glucose. Although sucrose repressed the expression of PA by 35% and improved the expression of ParaA by 16%, the expression level of PA was the highest and was 13% higher than that of ParaA. Lastly, we overexpressed the hemA gene in the C4 pathway using the PA promoter in S. meliloti 320, and the VB12 production of the engineered strain increased by 11%. The VB12 production was further increased by 11% by adding 0.1% sodium succinate to the culture medium.
Design of a Fe4S4 cluster into the core of a de novo four‐helix bundle
Authors: Mancini Joshua A. , Pike Douglas H. , Tyryshkin Alexei M. , Haramaty Liti , Wang Michael S. , Poudel Saroj , Hecht Michael , Nanda Vikas
Published: August 2020

We explore the capacity of the de novo protein, S824, to incorporate a multinuclear iron–sulfur cluster within the core of a single‐chain four‐helix bundle. This topology has a high intrinsic designability because sequences are constrained largely by the pattern of hydrophobic and hydrophilic amino acids, thereby allowing for the extensive substitution of individual side chains. Libraries of novel proteins based on these constraints have surprising functional potential and have been shown to complement the deletion of essential genes in E. coli. Our structure‐based design of four first‐shell cysteine ligands, one per helix, in S824 resulted in successful incorporation of a cubane Fe4S4 cluster into the protein core. A number of challenges were encountered during the design and characterization process, including nonspecific metal‐induced aggregation and the presence of competing metal‐cluster stoichiometries. The introduction of buried iron–sulfur clusters into the helical bundle is an initial step toward converting libraries of designed structures into functional de novo proteins with catalytic or electron‐transfer functionalities.