bluuebunny/crossref_metadata_2025 huggingface dataset:
Desempeño de las pruebas combinadas de IgM e IgG rápidas en la vigilancia ocupacional de COVID-19 en empresas colombianas
Authors: Idrovo Álvaro J. , Moreno-Montoya José , Pinzón-Flórez Carlos E.
Published: November 2020

Introducción. Las pruebas combinadas de IgM e IgG rápidas pueden tener un papel importante en la vigilancia de la COVID-19 y en su diagnóstico, así como en la evaluación de la respuesta inmunológica y la verificación de los avances hacia la inmunidad de rebaño.Objetivo. Evaluar el desempeño de las pruebas rápidas de anticuerpos en la vigilancia ocupacional de la COVID-19 en un grupo de empresas colombianas.Materiales y métodos. Se usaron datos de la vigilancia ocupacional de empresas que hicieron pruebas serológicas periódicas a todo el personal desde finales de abril hasta comienzos de julio de 2020. Los trabajadores laboraban en grupos pequeños (“burbujas sociales”) para evitar brotes y optimizar la vigilancia. La sensibilidad se estimó como si el muestreo respondiera a un diseño prospectivo. Se describieron, asimismo, los cambios en las pruebas serológicas por medio de rondas periódicas.Resultados. Se obtuvieron datos de 4.740 trabajadores, de los cuales solo 23 eran sintomáticos. En ellos se evidenciaron cambios de IgM(-)/IgG(-) a IgM(+), y luego a IgM(+)/IgG(+) e IgG(+). La sensibilidad fue de 40,94 % para las IgM(+) y 47,95 % para las IgM(+)/IgG(+), lo que implica que se pudo detectar un poco menos de la mitad de los casos.Conclusión. Las pruebas rápidas de anticuerpos tienen un papel en el proceso diagnóstico de la infección y deben evaluarse teniendo en cuenta el momento de la epidemia, el tipo de prueba comprada y las poblaciones de riesgo, dado que sus resultados dependen del número de contagios y de casos. En el contexto de la presente crisis sanitaria pueden optimizarse si se organizan los trabajadores en “burbujas sociales”.
Secuenciación del SARS-CoV-2: la iniciativa tecnológica para fortalecer los sistemas de alerta temprana ante emergencias de salud pública en Latinoamérica y el Caribe
Authors: Álvarez-Díaz Diego A. , Laiton-Donato Katherine , Franco-Muñoz Carlos , Mercado-Reyes Marcela
Published: November 2020

La pandemia de COVID-19 causada por el SARS-CoV-2 es un problema de salud pública sin precedentes en los últimos 100 años, así como la respuesta centrada en la caracterización genómica del SARS-CoV-2 prácticamente en todas las regiones del planeta. Esta pandemia surgió durante la era de la epidemiología genómica impulsada por los continuos avances en la secuenciación de próxima generación. Desde su reciente aparición, la epidemiología genómica permitió la identificación precisa de nuevos linajes o especies de agentes patógenos y la reconstrucción de su variabilidad genética en tiempo real, lo que se hizo evidente en los brotes de influenza H1N1, MERS y SARS. Sin embargo, la escala global y descontrolada de esta pandemia ha generado una situación que obligó a utilizar de forma masiva herramientas de la epidemiología genómica como la rápida identificación del SARS-CoV-2 y el registro de nuevos linajes y su vigilancia activa en todo el mundo. Antes de la pandemia de COVID-19 la disponibilidad e datos genómicos de agentes patógenos circulantes en varios países de Latinoamérica y el Caribe era escasa o nula. Con la llegada del SARS-CoV-2 dicha situación cambió significativamente, aunque la cantidad de información disponible sigue siendo escasa y, en países como Colombia, Brasil, Argentina y Chile, la información genómica del SARS-CoV-2 provino principalmente de grupos de investigación en epidemiología genómica más que como producto de una política o programa de vigilancia en salud pública.
A 22-amino-acid peptide regulates tight junctions through occludin and cell apoptosis
Authors: Zhu Maoying , Lu Juan , Shen Jianyun , Fei Lumin , Chen Deyu
Published: November 2020

Occludin is a structural protein of tight junctions (TJ) in the blood–testis barrier (BTB). A 22-amino-acid peptide (22AA) in the second extracellular loop can reversibly regulate TJ, but its regulatory mechanism is unknown. In this study, a 22AA-induced TJ destruction animal model was constructed to investigate the effect of 22AA on Sertoli cells (SCs) and spermatid counts and cell apoptosis at different time points using a multiplex immunofluorescence technique. The effect of 22AA on the location and distribution of occludin was analyzed via dual confocal fluorescence microscope. Western blotting was used to analyze dynamic changes in occludin expression. Real-time RT-PCR was used to analyze miR-122-5p expression changes. Sperm density counts and mating methods were used to analyze the effect of 22AA on fertility in mice. The results showed that 22AA promoted SC and spermatid apoptosis, downregulated occludin, upregulated miR-122-5p, and decreased sperm density and litter size before 27 days (27D). After 27D, the expression of occludin increased again, miR-122-5p expression decreased again, both sperm density and litter size returned to normal, apoptosis stopped, and spermatogenesis began to recover. Therefore, it can be concluded that 22AA can destroy TJ by downregulating occludin and inducing cell apoptosis. After 27D, TJ and spermatogenesis functions return to normal.
A model of population dynamics with complex household structure and mobility: implications for transmission and control of communicable diseases
Authors: Chisholm Rebecca H. , Crammond Bradley , Wu Yue , Bowen Asha C. , Campbell Patricia T. , Tong Steven Y.C. , McVernon Jodie , Geard Nicholas
Published: November 2020

Households are known to be high-risk locations for the transmission of communicable diseases. Numerous modelling studies have demonstrated the important role of households in sustaining both communicable diseases outbreaks and endemic transmission, and as the focus for control efforts. However, these studies typically assume that households are associated with a single dwelling and have static membership. This assumption does not appropriately reflect households in some populations, such as those in remote Australian Aboriginal and Torres Strait Islander communities, which can be distributed across more than one physical dwelling, leading to the occupancy of individual dwellings changing rapidly over time. In this study, we developed an individual-based model of an infectious disease outbreak in communities with demographic and household structure reflective of a remote Australian Aboriginal community. We used the model to compare the dynamics of unmitigated outbreaks, and outbreaks constrained by a household-focused prophylaxis intervention, in communities exhibiting fluid vs. stable dwelling occupancy. We found that fluid dwelling occupancy can lead to larger and faster outbreaks in modelled scenarios, and may interfere with the effectiveness of household-focused interventions. Our findings suggest that while short-term restrictions on movement between dwellings may be beneficial during outbreaks, in the longer-term, strategies focused on reducing household crowding may be a more effective way to reduce the risk of severe outbreaks occurring in populations with fluid dwelling occupancy.
Gut microbiota in hospitalized children with acute infective gastroenteritis caused by virus or bacteria in a regional Peruvian hospital
Authors: Taco-Masias Andre Alonso , Fernandez-Aristi Augusto R. , Cornejo-Tapia Angela , Aguilar-Luis Miguel Angel , del Valle Luis J. , Silva-Caso Wilmer , Zavaleta-Gavidia Victor , Weilg Pablo , Cornejo-Pacherres Hernán , Bazán-Mayra Jorge , Puyen Zully M. , del Valle-Mendoza Juana
Published: November 2020

Background

Acute infective gastroenteritis (AIG) is a leading cause of mortality in children worldwide. In Peru, more than 40% of cases of AIG occurring in children under 5 years old. The disruption of the gut microbiota can increase risk for several health complications especially in patients with gastric infections caused by viruses or bacteria.

Objective

The main objective of this study was to describe the prevalence of 13 representative bacteria from the gut microbiota (GM) in stools samples from children under 5 years of age with acute infective gastroenteritis.

Results

The most commonly isolated bacteria from the GM were Firmicutes (63.2% 74/117) Bacteriodetes (62.4%; 73/117), Lactobacillus (59.8%; 70/117), Prevotella (57.2%; 67/117), Proteobacterium (53.8%; 63/117), regardless of the etiological agent responsible for the AIG. Interestingly, despite the high prevalence of Firmicutes, Bacteroidetes, Lactobacillus and Prevotella across all samples, a visible reduction of these agents was observed especially among patients with a single bacterial infection or even bacteria–bacteria coinfections when compared to viral etiologies. Patients with exclusive or mixed breastfeeding registered the highest amount of gut microbiota bacteria, in contrast to infants who received formula or were not breastfed.
Differentially expressed serum proteins in children with or without asthma as determined using isobaric tags for relative and absolute quantitation proteomics
Authors: Li Ming , Wu Mingzhu , Qin Ying , Liu Huaqing , Tu Chengcheng , Shen Bing , Xu Xiaohong , Chen Hongbo
Published: November 2020

Background

Although asthma is one of the most common chronic, noncommunicable diseases worldwide, the pathogenesis of childhood asthma is not yet clear. Genetic factors and environmental factors may lead to airway immune-inflammation responses and an imbalance of airway nerve regulation. The aim of the present study was to determine which serum proteins are differentially expressed between children with or without asthma and to ascertain the potential roles that these differentially expressed proteins (DEPs) may play in the pathogenesis of childhood asthma.

Methods

Serum samples derived from four children with asthma and four children without asthma were collected. The DEPs were identified by using isobaric tags for relative and absolute quantitation (iTRAQ) combined with liquid chromatography tandem mass spectrometry (LC-MS/MS) analyses. Using biological information technology, including Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG), and Cluster of Orthologous Groups of Proteins (COG) databases and analyses, we determined the biological processes associated with these DEPs. Key protein glucose-6-phosphate dehydrogenase (G6PD) was verified by enzyme linked immunosorbent assay (ELISA).

Results

We found 46 DEPs in serum samples of children with asthma vs. children without asthma. Among these DEPs, 12 proteins were significantly (>1.5 fold change) upregulated and 34 proteins were downregulated. The results of GO analyses showed that the DEPs were mainly involved in binding, the immune system, or responding to stimuli or were part of a cellular anatomical entity. In the KEGG signaling pathway analysis, most of the downregulated DEPs were associated with cardiomyopathy, phagosomes, viral infections, and regulation of the actin cytoskeleton. The results of a COG analysis showed that the DEPs were primarily involved in signal transduction mechanisms and posttranslational modifications. These DEPs were associated with and may play important roles in the immune response, the inflammatory response, extracellular matrix degradation, and the nervous system. The downregulated of G6PD in the asthma group was confirmed using ELISA experiment.

Conclusion

After bioinformatics analyses, we found numerous DEPs that may play important roles in the pathogenesis of childhood asthma. Those proteins may be novel biomarkers of childhood asthma and may provide new clues for the early clinical diagnosis and treatment of childhood asthma.
Analysis of Added Value of Catfish Raw Leather Cracker Product (Case Study at CV. Raja Patin, Sugiharjo Village, Deli Serdang Regency, North Sumatra Province)
Authors: Bangun Jefry Yoris , Junianto .
Published: November 2020

This study aims to analyze the added value of the catfish skin cracker product in CV. Raja                Patin, Sugiharjo Village, North Sumatra Province. The method used in this research is a case study method and quantitative descriptive analysis as data analysis used. The sampling              technique was carried out using a purposive sampling method. The added value of the fish skin cracker product is IDR 31,700 / kg with an added value ratio of 67.44%. Fish products that are processed into fish crackers are worth 0.47 times the price of fresh fish. This indicates that processing activities provide a sizeable contribution to economic value added and product added value.
PdCl2/CuCl2/Bi(OTf)3‐promoted Construction of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes and Arylnaphthalenes via Intramolecular Annulation of Sulfonyl o‐Allylarylchromanones
Authors: Hsueh Nai‐Chen , Chang Meng‐Yang
Published: November 2020

PdCl2/CuCl2/Bi(OTf)3‐promoted intramolecular domino annulation of sulfonyl o‐allylarylchromanones provides tetracyclic sulfonyl dibenzooxabicyclo[3.3.1]nonanes and bicyclic arylnaphthalenes with good to excellent yields in MeOH at room (25 °C) and refluxing (65 °C) temperature, respectively. The starting sulfonyl o‐allylarylchromanones can be easily obtained from the intermolecular cyclocondensation of α‐sulfonyl o‐hydroxyacetophenones and o‐allylbenzaldehydes. The uses of various catalysts and solvent systems are investigated herein for convenient transformation. A plausible mechanism is proposed and discussed. This protocol provides one‐pot ring closure via carbon‐carbon (C−C) bond formation.

magnified image
Gold Catalysis Meets Materials Science – A New Approach to π‐Extended Indolocarbazoles
Authors: Hendrich Christoph M. , Bongartz Lukas M. , Hoffmann Marvin T. , Zschieschang Ute , Borchert James W. , Sauter Désirée , Krämer Petra , Rominger Frank , Mulks Florian F. , Rudolph Matthias , Dreuw Andreas , Klauk Hagen , Hashmi A. Stephen K.
Published: November 2020

Herein we describe a modular, convergent synthesis of substituted benzo[a]benzo[6,7]‐indolo[2,3‐h]carbazoles (BBICZs) using a bidirectional gold‐catalyzed cyclization reaction as a key step. A building block strategy enabled the easy variation of substituents at different positions of the core structure and a general analysis of substitution effects on the materials properties of the target compounds. All BBICZs were fully characterized and their optical and electronic properties were studied experimentally as well as by computational methods. Organic thin‐film transistors based on eight selected derivatives were fabricated by vacuum deposition and charge‐carrier mobilities up to 1 cm2/Vs were measured.

magnified image
Self‐Assembled Solid‐State Gel Catholyte Combating Iodide Diffusion and Self‐Discharge for a Stable Flexible Aqueous Zn–I2 Battery
Authors: Sonigara Keval K. , Zhao Jingwen , Machhi Hiren K. , Cui Guanglei , Soni Saurabh S.
Published: November 2020

Aqueous rechargeable zinc–iodine batteries (ARZIBs) represent a promising form of sustainable energy storage, having highly abundant and environmentally workable elements. The low utilization of solid iodine and self‐discharge due to the diffusive properties of the soluble polyiodides in aqueous media hamper the stability and device design. The concept of building a solid‐state ARZIB with self‐discharge control by limiting iodide diffusion employing solid–gel reactions with water‐based gel‐embedded I3−/I− in block copolymer bearing highly active iodine components is demonstrated. The catholyte gel has an amphiphilic property that provides high solubility for iodine and better ionic conductivity from the cubic microcrystalline self‐assembled structures. This gel prevents long range iodide ion diffusion in multilayer self‐assemblies of the catholyte followed by the gel electrolyte layer due to self‐trapped polyiodides at the core–shell interface and inside the hydrophobic core of micelles. By contrast, positive zinc ions easily diffuse through the hydrophilic poly(ethylene oxide)‐water‐rich channels. This solid matrix results in a discharge capacity of 210 mAh g−1 (at 1 C rate) and stability with a retaining capacity of 94.3% after 500 cycles, including self‐discharge protection. The flexible module device shows excellent flexibility during deformations and the ability to power gadgets with stable performance.
Identifying the Origins of Microstructural Defects Such as Cracking within Ni‐Rich NMC811 Cathode Particles for Lithium‐Ion Batteries
Authors: Heenan Thomas M. M. , Wade Aaron , Tan Chun , Parker Julia E. , Matras Dorota , Leach Andrew S. , Robinson James B. , Llewellyn Alice , Dimitrijevic Alexander , Jervis Rhodri , Quinn Paul D. , Brett Dan J. L. , Shearing Paul R.
Published: November 2020

The next generation of automotive lithium‐ion batteries may employ NMC811 materials; however, defective particles are of significant interest due to their links to performance loss. Here, it is demonstrated that even before operation, on average, one‐third of NMC811 particles experience some form of defect, increasing in severity near the separator interface. It is determined that defective particles can be detected and quantified using low resolution imaging, presenting a significant improvement for material statistics. Fluorescence and diffraction data reveal that the variation of Mn content within the NMC particles may correlate to crystallographic disordering, indicating that the mobility and dissolution of Mn may be a key aspect of degradation during initial cycling. This, however, does not appear to correlate with the severity of particle cracking, which when analyzed at high spatial resolutions, reveals cracking structures similar to lower Ni content NMC, suggesting that the disconnection and separation of neighboring primary particles may be due to electrochemical expansion/contraction, exacerbated by other factors such as grain orientation that are inherent in such polycrystalline materials. These findings can guide research directions toward mitigating degradation at each respective length‐scale: electrode sheets, secondary and primary particles, and individual crystals, ultimately leading to improved automotive ranges and lifetimes.
Lead‐Free Perovskite‐Inspired Absorbers for Indoor Photovoltaics
Authors: Peng Yueheng , Huq Tahmida N. , Mei Jianjun , Portilla Luis , Jagt Robert A. , Occhipinti Luigi G. , MacManus‐Driscoll Judith L. , Hoye Robert L. Z. , Pecunia Vincenzo
Published: November 2020

With the exponential rise in the market value and number of devices part of the Internet of Things (IoT), the demand for indoor photovoltaics (IPV) to power autonomous devices is predicted to rapidly increase. Lead‐free perovskite‐inspired materials (PIMs) have recently attracted significant attention in photovoltaics research, due to the similarity of their electronic structure to high‐performance lead‐halide perovskites, but without the same toxicity limitations. However, the capability of PIMs for indoor light harvesting has not yet been considered. Herein, two exemplar PIMs, BiOI and Cs3Sb2ClxI9‐x are examined. It is shown that while their bandgaps are too wide for single‐junction solar cells, they are close to the optimum for indoor light harvesting. As a result, while BiOI and Cs3Sb2ClxI9‐x devices are only circa 1%‐efficient under 1‐sun illumination, their efficiencies increase to 4–5% under indoor illumination. These efficiencies are within the range of reported values for hydrogenated amorphous silicon, i.e., the industry standard for IPV. It is demonstrated that such performance levels are already sufficient for millimeter‐scale PIM devices to power thin‐film‐transistor circuits. Intensity‐dependent and optical loss analyses show that future improvements in efficiency are possible. Furthermore, calculations of the optically limited efficiency of these and other low‐toxicity PIMs reveal their considerable potential for IPV, thus encouraging future efforts for their exploration for powering IoT devices.
Witteveen–Kolk syndrome: The first patient from Turkey
Authors: Ercoskun Pelin , Yuce Kahraman Cigdem
Published: November 2020

Witteveen–Kolk syndrome is a rare genetic disorder characterized by intellectual disability, developmental delay and dysmorphic facial features including a long face with prominent forehead, depressed nasal bridge, long‐smooth philtrum and malformed ears. Skeletal abnormalities, microcephaly and malformation of the brain are other findings. This syndrome is caused by mutations in the SIN3A gene or microdeletions encompassing this gene. The protein encoded by SIN3A gene plays a regulatory role in the control of various developmental processes, especially cortical expansion and maturation. To date, 17 patients have been reported in the medical literature. In this article, we reported a patient with Witteveen–Kolk syndrome who had a retrognathia as an unusually finding. To the best of our knowledge, this is the first patient of Witteveen–Kolk syndrome reported from Turkey.
Technical note: A report on the Forensic Anthropology Database for Assessing Methods Accuracy
Authors: Juarez Chelsey A. , Hughes Cris E. , Yim An‐Di
Published: November 2020

We report on the functionality, available support, and research capability of the Forensic Anthropology Database for Assessing Methods Accuracy (FADAMA; DOJ DUBX0213). FADAMA is an online repository for case data from identified forensic skeletal cases. The goal of FADAMA is to address the lack of adequate measures for assessing accuracy and reliability of forensic anthropology methods. FADAMA requires users to apply for access with their university or organization credentials. Verified users may upload and download anonymized case data via the user interface, after signing a terms of service agreement outlining ethical behavior. Case data uploads require information about the actual biological profile of the decedent and the forensic anthropology estimations. Uploading case data takes approximately 15–25 min. FADAMA users currently have 85 methods to select from when entering case data, with the capability to add new methods as they are developed. Access to the database is free, and online video tutorials are available for users covering database functionality. Currently, the database houses anonymized case data for over 350 identified cases from across the U.S. Funding has been allocated for a database technician to assist offices with large caseloads to upload cases. As it stands, the database is easy to use, and maintains thoughtful tools to assist users. The power of the database to identify trends in both method accuracy and usage is apparent, and will continue to grow as more cases are added.
AIChE PD2M Advanced Process Control workshop‐moving APC forward in the pharmaceutical industry
Authors: Huang Jun , O'Connor Thomas , Ahmed Kaschif , Chatterjee Sharmista , Garvin Chris , Ghosh Krishna , Ierapetritou Marianthi , Jeffers Malcolm , Pla David Lauri , Lee Sau L. , Lovett David , Lyngberg Olav , Mack John , McManus Eoin , Romero‐Torres Saly , Undey Cenk , Venkatasubramanian Venkat , Warman Martin
Published: November 2020

This whitepaper summarizes the outcome of the first Advanced Process Control (APC) workshop in the pharmaceutical industry, presented by AIChE PD2M, and held in Washington DC, Sep 30 to Oct 01, 2019. Approximately 50 attendees from regulatory agencies, industry and academia had an opportunity to share perspectives and best practices on the business, technical and regulatory aspects of APC for both small and large molecule drug manufacturing. The event consisted of keynote talks, case studies and panel discussions, filled with lively interactions that focused on: (a) Business drivers for APC in pharma; (b) Alignment on the definitions of key terminology; (c) Clarification of roles and relationships of APC with regards to popular initiatives such as Quality by Design (QbD), Process Analytical Technology (PAT), Real Time Release testing (RTRt), Continued Process Verification (CPV), continuous manufacturing and digital manufacturing; (d) APC manufacturing implementation considerations; (e) Quality system and regulatory considerations for APC implementation; (f) APC opportunities in modular manufacturing, process intensification, integrated continuous manufacturing. (g) standards, training, and collaboration.
Vinyl and Alkynyl Triazenes: Synthesis, Reactivity, and Applications
Authors: Suleymanov Abdusalom A. , Severin Kay
Published: November 2020

Aromatic compounds containing triazenyl groups (N3RR′) have a profound impact on synthetic organic and medicinal chemistry. In contrast, the chemistry of vinyl and alkynyl triazenes was a largely uncharted territory until recently. The situation has changed over the last five years, and it has become apparent that vinyl and alkynyl triazenes are highly interesting compounds with a unique reactivity. The electron‐donating properties of the triazenyl group provide alkynyl triazenes with an ynamide‐like reactivity, which can be exploited in reactions of the triple bond. Vinyl triazenes, on the other hand, can be used for electrophilic vinylation reactions. The foundation for this new triazene chemistry are synthetic pathways which allow preparing vinyl and alkynyl triazenes in few steps from readily available starting materials. In this Minireview, we summarize recent developments in this area.
A High Yield Synthesis of an Octastannacubane and a Bis(silyl) Stannylene via Reductive Elimination of a Silane
Authors: Bashkurov Roman , Kratish Yosi , Fridman Natalia , Bravo‐Zhivotovskii Dmitry , Apeloig Yitzhak
Published: November 2020

Thermolysis of tris(silyl) tin hydride 2 at 70 °C for 3 hours results in elimination of tBu2MeSiH and generation of bis(silyl) stannylene 3 which dimerizes instantaneously yielding distannene 4. Compound 3 can be trapped by NHCMe yielding stannylene‐NHCMe complex 5. Upon heating (70 °C, 24 h) 4 yields stannyl radical 8 along with pentastannatricyclo[2.1.0.02, 5]pentane 10 (ca. 30 %) and traces (ca. 5 %) of the novel octastannacubane 9. Remarkably, octastannacubane 9 is produced in 70 % yield by mild heating (50 °C) of 1,1,2,2‐tetrasilyldistannane 11, along with tBu2MeSiH. Octastannacubane 9 was characterized by X‐ray crystallography, NMR and UV/Vis spectroscopy. Based on DFT quantum‐mechanical calculations the 11 → 9 transformation occurs via reductive elimination of two tBu2MeSiH molecules from 11 yielding a distannyne, (or its bis‐stannylene isomer), followed by its tetramerization.
Entdeckung und Design promiskuitiver Acyltransferase‐Aktivität in Carboxylesterasen der Familie VIII
Authors: Müller Henrik , Godehard Simon P. , Palm Gottfried J. , Berndt Leona , Badenhorst Christoffel P. S. , Becker Ann‐Kristin , Lammers Michael , Bornscheuer Uwe T.
Published: November 2020

Promiskuitive Acyltransferase‐Aktivität ist die Eigenschaft mancher Hydrolasen, in wässriger Lösung Acyltransfer statt Hydrolyse zu katalysieren. Niedrige Enantioselektivität bzw. Effizienz, signifikante Produkthydrolyse und das begrenzte Substratspektrum bekannter Acyltransferasen stellen erhebliche Nachteile für industrielle Anwendungen dar. Durch aktivitätsbasiertes Screening von Hydrolasen konnte die Carboxylesterase EstCE1 aus der Familie VIII als beispiellos effiziente Acyltransferase identifiziert werden. EstCE1 kann die irreversible Amidierung und Carbamoylierung von Aminen in Wasser katalysieren, wie hier am Beispiel der Synthese des Wirkstoffs Moclobemid gezeigt. Detaillierte Struktur‐Funktions‐Analysen basierend auf der hier gelösten Kristallstruktur von EstCE1 identifizierten ein Sequenz‐Motiv, das sich als bedeutsam für die promiskuitive Acyltransferase‐Aktivität herausstellte. Die Übertragung dieses Motivs führte zur Umwandlung einer “Hydrolase” in eine “Acyltransferase”.
High strength and toughness of double physically cross‐linked hydrogels composed of polyvinyl alcohol and calcium alginate
Authors: Chen Jiwei , Yang Zhaokun , Shi Dongjian , Zhou Tianyang , Kaneko Daisaku , Chen Mingqing
Published: November 2020

The weak mechanical properties of hydrogels, especially physically cross‐linked hydrogels are usually a major factor to hinder their application. To solve this problem, in this work, we prepared a high strength and toughness of double physically cross‐linked (PDN) hydrogels composed of crystalline domain cross‐linked polyvinyl alcohol (PVA) and Ca2+‐cross‐linked alginate (Alg). With a further annealing treatment, the noncovalent cross‐linked network via the formed crystalline promote the as‐prepared PDN PVA/Alg hydrogel to exhibit well mechanical properties with the tensile strength of ~1.94 MPa, elongation at break of ~607% and Young's modulus of ~0.45 MPa (above 70 wt% of water content). By analyzing the mechanism of improving the hydrogel mechanical properties, it is found that annealing can effectively improve the crystallinity of PVA in the hydrogel, and then greatly improve the mechanical properties of the hydrogel. This provides a general method for improving the mechanical properties of PVA PDN hydrogels. In addition, the PDN PVA/Alg hydrogel was also proved to have good ionic conductivity of 1.70 S m−1. These desirable properties make the prepared physically cross‐linked hydrogels promising materials for medical and biosensing fields.
Effects of interlayer density and surfactant on coupled thermal stress and moisture absorption in modified montmorillonite/polypropylene nanocomposite
Authors: Mahdavi Ehsan , Haghighi‐Yazdi Mojtaba , Mashhadi Mahmoud Mosavi , Khaledialidusti Rasoul
Published: November 2020

Modified montmorillonite/polypropylene nanocomposites (NCs) are increasingly used in industrial applications such as subsea pipelines because hexadecyltrimethyl ammonium montmorillonite (HDTMA+‐Mt) enhances thermomechanical and barrier properties of the amorphous polymer. Two coupled physics of moisture adsorption and thermal loading are investigated. Molecular dynamics simulates HDTMA+‐Mt polymer NC using three force fields including polymer consistent force field and condensed‐phase optimized molecular potentials, and embedded‐atom method. Mechanical properties and self‐diffusion coefficient are investigated at temperature levels of 100 and 298 K, and water content of 0.021 and 0.133 g/g. These properties are evaluated at 1.0 atm pressure for four different volume fractions (vol%) of the HDTMA+‐Mt. The modeling procedure is verified by obtaining the glass transition temperature (Tg) of the NC by scanning the temperature from 200 K (glassy state) up to 325 K (rubbery state). It is observed that the Tg is very close to the experimental value available in the literature. The result of the modeling shows that the increase of clay content of the NC decreases the self‐diffusion coefficient of the material. It is seen that the clay nanoparticle can significantly hinder the degradation of mechanical properties of the NC even when both temperature and water content increase.
Heterogeneous Kinetics of Thiourea Electro‐Catalytic Oxidation Reactions on Palladium Surface in Aqueous Medium
Authors: Shabik Md. Fazle , Begum Humayra , Rahman Mohammed M. , Marwani Hadi M. , Hasnat Mohammad A.
Published: November 2020

The electrochemical behaviors of thiourea (TU) oxidation have been studied at Palladium (Pd) electrode in the acidic medium by recording cyclic voltammograms (CVs). The influence of pH was investigated in the pH range of 1.0 to 9.0. Facilitated adsorption of TU on electrode surface results in enhanced catalytic response in acidic medium and maximum electro‐catalytic response was found at pH∼3.0. Chronoamperometric (CA) experiment determined this oxidation as 1e‐ transfer process and the variation of TU concentration reveals a 1st order kinetics. In the CV responses, the large value of peak separation (▵Ep >380 mV) calculated by the variation of scan rate indicates that oxidation of TU is an irreversible process. With the aid of convolution potential sweep voltammetry (CPSV), the standard rate constant (k°) for the reaction was found to be 7.1×10−4cm/s and the formal potential constant (E°′ ) was evaluated to be ∼0.37 V vs Ag/AgCl (sat. KCl). The value of transfer coefficient (α) was found to vary from 0.74 to 0.40 with applied potential (E). From the potential dependent variation of transfer coefficient (α) and activation energy (▵G≠), it was concluded that the overall electrochemical oxidation of TU follows a stepwise mechanism at lower potential (<0.40) V and a concerted one at relatively higher potential (>0.40) V. The FTIR analysis of the product after oxidation of TU molecules confirmed the appearance of a new sharp band near 530 cm−1 due to the formation of S−S bonds suggesting formation of formamidine disulfide (FD) ions.
Model robust profile monitoring for the generalized linear mixed model for Phase I analysis
Authors: Bandara Keerthi , Abdel‐Salam Abdel‐Salam G. , Birch Jeffrey B.
Published: November 2020

The generalized linear mixed model (GLMM) becomes very popular in profile monitoring, especially when the production processes follow nonnormal distribution. In most of the real‐life applications in industry, medicine, biology…and so on researchers assume that the response variable follows a Bernoulli or Binomial distribution. The majority of previous studies in profile monitoring focused on parametric modeling using the logistic regression model, with both fixed or random effects, under the assumption of correct model specification. This research considers those cases where the parametric logistic regression model for the family of profiles is unknown or at least uncertain. Consequently, we propose two mixed model methods to monitor profiles from the exponential family: a nonparametric (NP) regression method based on the penalized spline regression technique and a semiparametric method (model robust profile monitoring for the generalized linear mixed model) which combines the advantages of both the parametric and NP methods. Several Hotelling T2 charts that have been studied for a binary response variable with replicates for Phase I profile monitoring. The performance of the proposed method is evaluated by using mean squares of errors and probability of signals criteria. The results showed satisfactory performance of the proposed control charts.
Can failure be prevented? Using longitudinal data to identify at‐risk students upon entering secondary school
Authors: Vinas‐Forcade Jennifer , Mels Cindy , Van Houtte Mieke , Valcke Martin , Derluyn Ilse
Published: November 2020

In 2016, Uruguay started gathering longitudinal student data to improve educational trajectories by putting in place an ‘early alert’ system. Underlying the system is the understanding that prior schooling predicts likelihood of grade repetition and grade repetition predicts later school dropout, while close follow‐up can help prevent both repetition and dropout. We used a database of administrative registries from a national public primary school graduating cohort on their last year in primary and first year in secondary education (2015–2016, n = 36,754). We conducted two‐level cross‐classified logistic regression analyses to assess the suitability of using features of Uruguayan students’ primary school trajectories, individual, family and primary school characteristics to predict their success or failure in their first year of secondary school. All considered prior schooling factors (previous repetition experiences, achievement, behaviour and absenteeism), the student’s family socio‐economic status (SES) and primary school’s SES composition, as well as the location of the school in an urban or rural setting, help explain differences in chances of first‐year success or failure (grade repetition) in secondary school. While these results support the ‘early alert’ system’s approach, predictive performance analyses are needed when using explanatory models for planning interventions with scarce resources and making decisions affecting individual students’ trajectories. The importance of testing resulting models’ sensitivity, as well as their false positive rates, is highlighted.
A new feasible approach based on utility of ninhydrin for selective fluorimetric analysis of baclofen. Application to content uniformity evaluation
Authors: Abu‐hassan Ahmed A. , Ali Ramadan , Derayea Sayed M.
Published: November 2020

In the current proposed analysis, a new, feasible, and selective fluorimetric approach was designed for baclofen assay. Baclofen is a medication prescribed as a therapy for muscle spasticity that originated from multiple sclerosis or a spinal cord injury, and other cases such as hiccups. The analytical approach relies on the use of ninhydrin to form a fluorescent derivative that was monitored at λex 386 nm or λem 480 nm. Under suitable reaction conditions, the primary amino moiety in baclofen was condensed with ninhydrin and phenylacetaldehyde in the presence of Teorel buffer as a buffered medium. The method exhibited linearity when baclofen concentration was plotted against response in the range 1–10 μg ml−1. Adjustment of the reaction variables and study of validation parameters according to ICH directives were performed correctly. An interference study was implemented to ensure that no discrepancy from the excipient had occurred. Finally, the proposed method was applied successfully for baclofen assay in dosage form and extended to test Mylobac content uniformity.
A new model to analyze the temperature effect on the microalgae performance at large scale raceway reactors
Authors: Rodríguez‐Miranda Enrique , Acién Francisco G. , Guzmán Jose L. , Berenguel Manuel , Visioli Antonio
Published: November 2020

In this study a simplified temperature model for raceway reactors is developed, allowing to determine the temperature of the microalgae culture as a function of reactor design and environmental conditions. The model considers the major phenomena taking place in raceway reactors, especially heat absorption by radiation and heat losses by evaporation among others. The characteristic parameters of the model have been calibrated using genetic algorithms, next being validated with a long set of more than 50 days covering different weather conditions. It is worth to highlight the use of the developed model as a tool to analyze the influence of the temperature on the performance of microalgae cultures at large scale. As example, the annual variation of the performance of up to five different microalgae strains has been determined by computing the temperature index, thus the normalized value of performance of whatever microalgae at the real temperature with respect to that achievable at optimal temperature can be established. Results confirm that only strains tolerant to wide ranges of temperature can be efficiently produced all the year around in large scale outdoor raceway reactors without additional temperature control systems.
Stakeholder engagement is evolving: Do investors play a main role?
Authors: Ruiz Silvia , Romero Silvia , Fernandez‐Feijoo Belen
Published: November 2020

Stakeholder engagement, an essential component of the sustainability reporting strategy, is changing, as is the position of the different stakeholders in this evolving scenario. In this paper, we explore the effect of the pressure that a specific group of stakeholders, investors, exerts on the quality of the sustainability information disclosed. We intend to analyze if there has been a change in the role that investors play in sustainability reporting. By focusing on investors, we are paying attention to one of the less studied groups within the sustainability stakeholders. To this aim, we carry out a content analysis of the sustainability information disclosed by U.S. (shareholder‐oriented country) and Spanish (stakeholder‐oriented country) listed companies during the years 2013 to 2016. Our findings confirm the key role that investors play in the companies' sustainability strategies, demanding more and better sustainability information. We also find a reduction in the quality of sustainability disclosures in Spanish companies in the last year of our sample, showing a relevant change in this country that has been leading the sustainability rankings until now. The results of this paper are useful to investors and companies, as they reflect the changes on the information they demand, and for regulators, in order to create the adequate legal framework that will improve the quality of reporting. Regulators and financial agents should acknowledge this new scenario to adapt norms and actions accordingly.
Hypothalamic injury patterns after resection of craniopharyngiomas and correlation to tumor origin: A study based on endoscopic observation
Authors: Yang Le , Xie ShenHao , Tang Bin , Wu Xiao , Tong ZhiGao , Fang Chao , Ding Han , Bao YouYuan , Zheng SuYue , Hong Tao
Published: November 2020

The precise understanding of hypothalamic injury (HI) patterns and their relationship with different craniopharyngioma (CP) classifications remains poorly addressed. Here, four HI patterns after CP resection based on endoscopic observation were introduced. A total of 131 CP cases treated with endoscopic endonasal approach (EEA) were reviewed retrospectively and divided into four HI patterns: no‐HI, mild‐HI, unilateral‐HI and bilateral‐HI, according to intraoperative findings. The outcomes were evaluated and compared between groups in terms of weight gain, endocrine status, electrolyte disturbance and neuropsychological function before and after surgery. A systematic correlation was found between CP origin and subsequent HI patterns. The majority of intrasellar and suprasellar stalk origins lead to a no‐HI pattern, the central‐type CP mainly develops a mild or bilateral HI pattern, and the majority of tumors with hypothalamic stalk origins result in unilateral HI and sometimes bilateral HI patterns. The proportion of tumors with a maximum diameter >3 cm in the no‐HI group was higher than that in the mild‐HI group, BMI and quality of life in the no‐HI group showed better results than those in the other groups. The incidence of new‐onset diabetes insipidus in the bilateral‐HI group was significantly higher than that in the other groups. Memory difficulty was observed mainly in the unilateral‐HI and bilateral‐HI groups. However, the outcomes of electrolyte disturbance, sleep, and cognitive disorder in the unilateral‐HI group were significantly better than those in the bilateral‐HI group. This study suggests the possibility of using pre‐ and intraoperative observation of CP origin to predict four HI patterns and even subsequent outcomes after tumor removal.
Biological Relevance of RGD‐Integrin Subtype‐Specific Ligands in Cancer
Authors: Sani Saidu , Messe Mélissa , Fuchs Quentin , Pierrevelcin Marina , Laquerriere Patrice , Entz‐Werle Natacha , Reita Damien , Etienne‐Selloum Nelly , Bruban Véronique , Choulier Laurence , Martin Sophie , Dontenwill Monique
Published: November 2020

Integrins are heterodimeric transmembrane proteins able to connect cells with the micro‐environment. They represent a family of receptors involved in almost all the hallmarks of cancer. Integrins recognizing the Arg‐Gly‐Asp (RGD) peptide in their natural extracellular matrix ligands have been particularly investigated as tumoral therapeutic targets. In the last 30 years, intense research has been dedicated to designing specific RGD‐like ligands able to discriminate selectively the different RGD‐recognizing integrins. Chemists′ efforts have led to the proposition of modified peptide or peptidomimetic libraries to be used for tumor targeting and/or tumor imaging. Here we review, from the biological point of view, the rationale underlying the need to clearly delineate each RGD‐integrin subtype by selective tools. We describe the complex roles of RGD‐integrins (mainly the most studied αvβ3 and α5β1 integrins) in tumors, the steps towards selective ligands and the current usefulness of such ligands. Although the impact of integrins in cancer is well acknowledged, the biological characteristics of each integrin subtype in a specific tumor are far from being completely resolved. Selective ligands might help us to reconsider integrins as therapeutic targets in specific clinical settings.
Microenvironment‐Sensitive Fluorescent Ligand Binds Ascaris Telomere Antiparallel G‐Quadruplex DNA with Blue‐Shift and Enhanced Emission
Authors: Yu Quan‐Qi , Gao Juan‐Juan , Lang Xue‐Xian , Li Hong‐Yao , Wang Ming‐Qi
Published: November 2020

The development of small molecules that can selectively target G‐quadruplex (G4) DNAs has drawn considerable attention due to their unique physiological and pathological functions. However, only a few molecules have been found to selectively bind a particular G4 DNA structure. We have developed a fluorescence ligand Q1, a molecular scaffold with a carbazole–pyridine core bridged by a phenylboronic acid side chain, that acts as a selective ascaris telomere antiparallel G4 DNA ASC20 ligand with about 18 nm blue‐shifted and enhanced fluorescence intensity. Photophysical properties revealed that Q1 was sensitive to the microenvironment and gave the best selectivity to ASC20 with an equilibrium binding constant Ka=6.04×105 M−1. Time‐resolved fluorescence studies also demonstrated that Q1 showed a longer fluorescence lifetime in the presence of ASC20. The binding characteristics of Q1 with ASC20 were shown in detail in a fluorescent intercalator displacement (FID) assay, a 2‐Ap titration experiment and by molecular docking. Ligand Q1 could adopt an appropriate pose at terminal G‐quartets of ASC20 through multiple interactions including π–π stacking between aromatic rings; this led to strong fluorescence enhancement. In addition, a co‐staining image showed that Q1 is mainly distributed in the cytoplasm. Accordingly, this work provides insights for the development of ligands that selectively targeting a specific G4 DNA structure.
To Zoom, or not to Zoom? The growing role of telepsychiatry in the treatment of children
Authors: Crowley Brittany
Published: November 2020

The COVID‐19 pandemic has forced many psychiatric providers into a personal crash course in telepsychiatry that we, perhaps, never planned to sign up for. Our comfortable workplaces filled with toy houses, markers, and board games have been reduced to a 12‐inch computer screen in a rapidly constructed home office. The urgency of continued psychiatric care in the setting of a pandemic allowed for rapid expansion of telepsychiatry services at a pace never previously experienced in our history. We have seen changes to restrictions and regulations in the field happen quickly, even those that had previously sat on the table for years. This includes emergency exceptions allowing psychiatrists to see patients by video in states where they do not have full licensure. Before March, the word Zoom meant nothing more to most of us than a muffled sound a car makes as it drives by. It now represents a telepsychiatry platform that has become the (temporary) backbone of our careers.
Preschool children can have DMDD: DSM changes in the offing?
Authors: Knopf Alison
Published: November 2020

Children under the age of 6 cannot be diagnosed with disruptive mood dysregulation disorder (DMDD) under current DSM criteria. Researchers recently published a framework for early childhood DMDD that can result in earlier identification of the disorder.