bluuebunny/crossref_metadata_2025 huggingface dataset:
Subtype Diagnosis of Sporadic Creutzfeldt–Jakob Disease with Diffusion Magnetic Resonance Imaging
Authors: Bizzi Alberto , Pascuzzo Riccardo , Blevins Janis , Moscatelli Marco E. M. , Grisoli Marina , Lodi Raffaele , Doniselli Fabio M. , Castelli Gianmarco , Cohen Mark L. , Stamm Aymeric , Schonberger Lawrence B. , Appleby Brian S. , Gambetti Pierluigi
Published: December 2020

Objective

Sporadic Creutzfeldt–Jakob disease (sCJD) comprises several subtypes as defined by genetic and prion protein characteristics, which are associated with distinct clinical and pathological phenotypes. To date, no clinical test can reliably diagnose the subtype. We established two procedures for the antemortem diagnosis of sCJD subtype using diffusion magnetic resonance imaging (MRI).

Methods

MRI of 1,458 patients referred to the National Prion Disease Pathology Surveillance Center were collected through its consultation service. One neuroradiologist blind to the diagnosis scored 12 brain regions and generated a lesion profile for each MRI scan. We selected 487 patients with autopsy‐confirmed diagnosis of “pure” sCJD subtype and at least one positive diffusion MRI examination. We designed and tested two data‐driven procedures for subtype diagnosis: the first procedure—prion subtype classification algorithm with MRI (PriSCA_MRI)—uses only MRI examinations; the second—PriSCA_MRI + Gen—includes knowledge of the prion protein codon 129 genotype, a major determinant of sCJD subtypes. Both procedures were tested on the first MRI and the last MRI follow‐up.

Results

PriSCA_MRI classified the 3 most prevalent subtypes with 82% accuracy.

PriSCA_MRI + Gen raised the accuracy to 89% and identified all subtypes.

Individually, the 2 most prevalent sCJD subtypes, MM1 and VV2, were diagnosed with sensitivities up to 95 and 97%, respectively. The performances of both procedures did not change in 168 patients with longitudinal MRI studies when the last examination was used.

Interpretation

This study provides the first practical algorithms for antemortem diagnosis of sCJD subtypes. MRI diagnosis of subtype is likely to be attainable at early disease stages to prognosticate clinical course and design future therapeutic trials. ANN NEUROL 2021;89:560–572
In Situ Observation of Non‐Classical 2‐Norbornyl Cation in Confined Zeolites at Ambient Temperature
Authors: Tang Xiaomin , Chen Wei , Yi Xianfeng , Liu Zhiqiang , Xiao Yao , Chen Zhongfang , Zheng Anmin
Published: December 2020

Carbonium ions are an important class of reaction intermediates, but their dynamic evolution is difficult to be monitored by in situ techniques under experimental conditions because of their extremely short lifetime. Probably the most famous case is 2‐norbornyl cation (2NB+): its existing form (classical or non‐classical) had been debated for decades, until the concrete proof of non‐classical geometry was achieved by X‐ray crystallographic characterization at ultra‐low temperature (40 K) and super acidic environment. However, we lack the understanding about 2NB+ at ambient conditions. Herein, by taking advantage of the confinement effect and delocalized acidic environment of zeolites, we successfully stabilized 2NB+ and unequivocally confirmed its “non‐classical” structure inside the ZSM‐5 zeolite by ab initio molecular dynamics simulations and 13C solid‐state nuclear magnetic resonance experiments. It is the first time to in situ observe the non‐classical 2NB+ without the super acidic environment at ambient temperature, which provides a new strategy to expand the carbocation chemistry.
Dreidimensionale Ermittlung des thermischen Komforts mit detaillierter Berechnung der Strahlungstemperaturen auf Basis von Messdaten aus Drohnenbefliegungen
Authors: Rüdisser Daniel , Weiss Tobias , Unger Lukas
Published: December 2020

Eine neue Methode und Prozesskette zur Evaluierung des thermischen Komforts bzw. der Wärmebelastung in urbanem Gebiet wird formuliert und anhand einer Fallstudie in einem städtischen Quartier erprobt. Die Methode berücksichtigt insbesondere die Signifikanz aller relevanten Strahlungseinflüsse in Bezug auf das Hitzeempfinden. Zur möglichst exakten Bestimmung derselben werden anhand von Drohnenbefliegungen radiometrische Messungen vorgenommen. Die ermittelten Daten werden in ein detailliertes 3D‐Stadtmodell übertragen und auf Basis eines Monte‐Carlo Samplingalgorithmus unter Berücksichtigung der humanen Topologie ausgewertet. Die so errechneten lokalen mittleren Strahlungstemperaturen werden für die Erstellung von hochaufgelösten thermischen Komfortkarten und zur Identifizierung und Beurteilung lokaler Hotspots und relevanter Einflussgrößen herangezogen.
Computational Design of Ductile Magnesium Alloy Anodes for Magnesium Batteries
Authors: Vincent Smobin , Chang Jin Hyun , Garcia Lastra Juan Maria
Published: December 2020

The main advantage of Mg batteries over other metal counterparts is its ability to work with a pure metallic anode, achieving a very high specific capacity. Unfortunately, pure Mg is hard to machine due to its brittleness, making it extremely difficult to produce foils that are thin enough for practical battery applications. Alloying Mg with small amounts of doping elements can enhance its ductility. However, care should be given to ensure that the dopants do not interfere with the electrochemical process of plating and stripping of Mg from the anode during battery operation. Dopants should prefer to be in bulk or at a stacking fault rather than migrating to the surface to meet this requirement. In this work, we carried out a computational screening of 34 dopants that are reported to reduce Mg brittleness to check which of them energetically prefers to stay in bulk. We found that only 12 out of the 34 meet such a criterion. Y and Nd, two of the main dopants in the WE43 commercial alloys, are among the 12 beneficial doping elements, which presents a practical avenue for the exploration for superior Mg battery anode material.
Metabolomics study of cerebrospinal fluid from diabetic rats with cognitive impairment simultaneously treated with Panax quinquefolius and Acorus gramineus
Authors: Yang Yang , Wang Dongxue , Zhao Ying , Wang Yue , Bi Yuying , Bi Tiantian
Published: December 2020

A metabolomics approach was used to explore the effects of Panax quinquefolius (PQ) and Acorus gramineus (AG) on learning and memory in rats with diabetic‐induced cognitive impairment. Thirty Wistar rats were divided into three groups, namely, the normal group, model group, and PQ–AG group (PQ–AG group, 1.80 g/kg/d). Diabetes was induced by intraperitoneal injection of streptozotocin (65 mg/kg). Cerebrospinal fluid (CSF) was collected via cisterna magna puncture, and the Morris water maze method was used to evaluate learning and memory in rats after 11 weeks of PQ–AG treatment. Metabolic profiling of CSF samples was performed by using UPLC–Q‐TOF–MS. Compared with the normal group, the escape latency of the Morris water maze was significantly prolonged in model group rats after 12 weeks (p < 0.01). Compared with the model group, however, the escape latency was significantly shortened in PQ–AG group rats (p < 0.05). In multivariate statistical analysis, we identified 33 potential biomarkers, and six biomarkers were altered by PQ–AG. These biomarkers were involved in the metabolism of pyrimidine; nicotinate, and nicotinamide; glycine, serine, and threonine; and ascorbate and aldarate. Taken collectively, our results indicate that PQ–AG can attenuate diabetic‐induced cognitive impairment by affecting a variety of metabolic pathways. Our results provide an experimental basis for studying the mechanism of action of PQ–AG.
Naoxueshu relieves hematoma after clot removal in acute spontaneous intracerebral hemorrhage
Authors: Song Juexian , Nie Yuting , Wang Pingping , Lu Huiqiang , Gao Li
Published: December 2020

Objectives

Surgical treatment is expected to remove clot immediately in acute spontaneous intracerebral hemorrhage (SICH) patients. The aim of this study was to evaluate whether Naoxueshu could enhance the efficacy of clot removal surgery in acute SICH patients.

Methods

One hundred twenty patients who had been diagnosed as SICH according to neuroimaging were enrolled in this study. They received craniotomy, decompressive craniectomy, or minimally invasive surgical evacuation as appropriate and then were randomized into two groups: the Naoxueshu group (NXS group, n = 60) and the control group (n = 60). All the patients received standard medical management while patients in NXS group also took Naoxueshu oral liquid 10 ml with three times a day for seven consecutive days. The primary outcome was the 7‐day hematoma volume and secondary outcomes were 7‐day National Institutes of Health Stroke Scale (NIHSS) score and 7‐day cerebral edema score.

Results

After clot removal surgery, hematoma volume in NXS group (9.5 ± 8.0) was significantly decreased than that in Control group (21.3 ± 22.9, p < .0001) 7 days after surgery. Moreover, cerebral edema was also relieved after 7‐day's Naoxueshu treatment (2.5 ± 0.9 vs. 2.9 ± 0.7, p = .043). Since patients in NXS group had worse baseline NIHSS score (17.2 ± 8.1 vs. 13.7 ± 10.1, p = .039), it was reasonable to conclude that Naoxueshu treatment could improve patients’ neurological function because 7‐day NIHSS score of the two groups was similar.

Conclusion

Naoxueshu oral liquid could relieve hematoma volume and cerebral edema after clot removal surgery in acute SICH patients. Moreover, it had the potential to improve patients’ short‐term neurological function.
Treatment for comorbid depressive disorder or subthreshold depression in diabetes mellitus: Systematic review and meta‐analysis
Authors: van der Feltz‐Cornelis Christina , Allen Sarah F. , Holt Richard I. G. , Roberts Richard , Nouwen Arie , Sartorius Norman
Published: December 2020

Objective

To provide an estimate of the effect of interventions on comorbid depressive disorder (MDD) or subthreshold depression in type 1 and type 2 diabetes.

Methods

Systematic review and meta‐analysis. We searched PubMed, PsycINFO, Embase, and the Cochrane Library for randomized controlled trials evaluating the outcome of depression treatments in diabetes and comorbid MDD or subthreshold symptoms published before August 2019 compared to care as usual (CAU), placebo, waiting list (WL), or active comparator treatment as in a comparative effectiveness trial (CET). Primary outcomes were depressive symptom severity and glycemic control. Cohen's d is reported.

Results

Forty‐three randomized controlled trials (RCTs) were selected, and 32 RCTs comprising 3,543 patients were included in the meta‐analysis. Our meta‐analysis showed that, compared to CAU, placebo or WL, all interventions showed a significant effect on combined outcome 0,485 (95% CI 0.360; 0.609). All interventions showed a significant effect on depression. Pharmacological treatment, group therapy, psychotherapy, and collaborative care had a significant effect on glycemic control. High baseline depression score was associated with a greater reduction in HbA1c and depressive outcome. High baseline HbA1c was associated with a greater reduction in HbA1c.

Conclusion

All treatments are effective for comorbid depression in type 1 diabetes and type 2 diabetes. Over the last decade, new interventions with large effect sizes have been introduced, such as group‐based therapy, online treatment, and exercise. Although all interventions were effective for depression, not all treatments were effective for glycemic control. Effective interventions in comorbid depressive disorder may not be as effective in comorbid subthreshold depression. Baseline depression and HbA1c scores modify the treatment effect. Based on the findings, we provide guidance for treatment depending on patient profile and desired outcome, and discuss possible avenues for further research.
Comprehensive molecular profiling broadens treatment options for breast cancer patients
Authors: Kawaji Hitomi , Kubo Makoto , Yamashita Nami , Yamamoto Hidetaka , Kai Masaya , Kajihara Atsuko , Yamada Mai , Kurata Kanako , Kaneshiro Kazuhisa , Harada Yurina , Hayashi Saori , Shimazaki Akiko , Mori Hitomi , Akiyoshi Sayuri , Oki Eiji , Oda Yoshinao , Baba Eishi , Mori Masaki , Nakamura Masafumi
Published: December 2020

Precision oncology with next generation sequencing (NGS) using tumor tissue with or without blood has begun in Japan. Tumor molecular profiling tests are available, including the OncoGuide™ NCC Oncopanel System and FoundationOne® CDx (F1CDx). Our purpose was to identify potentially actionable genetic alterations in breast cancer with this comprehensive tumor profiling test. We enrolled 115 patients with pathologically diagnosed advanced or metastatic breast cancer. Comprehensive tumor genomic profiling, microsatellite instability, and tumor mutational burden (TMB) were determined using F1CDx. Testing was successful in 109/115 cases (94.8%). Clinically actionable alterations were identified in 76% of advanced breast cancer patients. The most frequent short variants were in TP53 (48.6%), PIK3CA (38.5%), GATA3 (11.0%), PTEN (11.0%), and BRCA1 (10.1%), and structural variants were in ERBB2 (24.8%), MYC (21.1%), RAD21 (21.1%), CCND1 (11.9%), FGF19 (10.1%), and PTEN (10.1%). Regarding human epidermal growth factor receptor (HER)2 status, 106/109 samples (97.2%) were concordant between F1CDx and HER2 testing with immunohistochemistry/fluorescence in situ hybridization. However, ERBB2 amplification was newly detected in four samples and ERBB2 mutations were detected in five HER2‐negative breast cancer samples. Oncogenic BRCA mutations were found in three samples with F1CDx among 27 germline testing‐negative samples. The mean TMB in all samples was 6.28 mut/Mb and tended to be higher in luminal B and triple‐negative breast cancer (mean = 8.1 and 5.9 mut/Mb, respectively) compared with other subtypes. In conclusion, we established a system for precision oncology and obtained preliminary data with NGS as the first step. The information in this clinical sequencing panel will help guide the development of new treatments for breast cancer patients.
Synthesizing Large‐Scale Fluid Simulations with Surface and Wave Foams via Sharp Wave Pattern and Cloudy Foam
Authors: Kim Jong‐Hyun , Lee Jung
Published: December 2020

This paper presents a unified framework to simulate surface and wave foams efficiently and realistically. The framework is designed first to project thee‐dimensional (3D) water particles from an underlying water solver onto two‐dimensional screen space to reduce the computational complexity of determining where foam particles should be generated. Because foam effects are often created primarily in fast and complicated water flows, we analyze the acceleration and curvature values to identify the areas exhibiting such flow patterns. Foam particles are emitted from the identified areas in 3D space, and each foam particle is advected according to its type, which is classified on the basis of velocity, thereby capturing the essential characteristics of foam wave motions. We improve the realism of the resulting foam by classifying it into two types: surface foam and wave foam. Wave foam is characterized by the sharp wave patterns of torrential flows, and surface foam is characterized by a cloudy foam shape, even in water with reduced motion. Based on these features, we propose a technique to correct the velocity and position of a foam particle. In addition, we propose a kernel technique using the screen space density to reduce redundant foam particles efficiently, resulting in improved overall memory efficiency without loss of visual detail in terms of foam effects. Experiments convincingly demonstrate that the proposed approach is efficient and easy to use while delivering high‐quality results.
Chemoenzymatic Semi‐synthesis Enables Efficient Production of Isotopically Labeled α‐Synuclein with Site‐Specific Tyrosine Phosphorylation
Authors: Pan Buyan , Park Joo Hyung , Ramlall Trudy , Eliezer David , Rhoades Elizabeth , Petersson E. James
Published: December 2020

Post‐translational modifications (PTMs) can affect the normal function and pathology of α‐synuclein (αS), an amyloid‐fibril‐forming protein linked to Parkinson's disease. Phosphorylation of αS Tyr39 has recently been found to display a dose‐dependent effect on fibril formation kinetics and to alter the morphology of the fibrils. Existing methods to access site‐specifically phosphorylated αS for biochemical studies include total or semi‐synthesis by native chemical ligation (NCL) as well as chemoenzymatic methods to phosphorylate peptides, followed by NCL. Here, we investigated a streamlined method to produce large quantities of phosphorylated αS by co‐expressing a kinase with a protein fragment in Escherichia coli. We also introduced the use of methyl thioglycolate (MTG) to enable one‐pot NCL and desulfurization. We compare our optimized methods to previous reports and show that we can achieve the highest yields of site‐specifically phosphorylated protein through chemoenzymatic methods using MTG, and that our strategy is uniquely well suited to producing 15N‐labeled, phosphorylated protein for NMR studies.
In pursuit of happiness: Teaching parents to play with their children
Authors: Alexander Veronica
Published: December 2020

The pursuit of happiness is widely acknowledged as a basic human impulse, so much so that wars have been waged over the concept, its necessity has been written into constitutions, and it has formed the basis for what many consider to be the American Dream. In some ways, in child psychiatry, this concept is at the heart of many of our encounters with patients. Children who have attention‐deficit/hyperactivity disorder develop negative self‐image as a result of negative feedback from others; teenagers with depression suffer from unrelenting negative cognitions that sabotage their sense of self. At a very basic level, their ability to pursue happiness is being threatened. However, as a discipline, child psychiatry has not developed a way of talking about how to hone the skill of “being happy.” What does such a practice look like, in concrete terms? How would we go about teaching such a practice to our patients, who are often quite vulnerable, in multiple senses of the word? Given that our patients often come to us in the midst of very stressful and difficult circumstances, how can we shift our perspectives and theirs, to include not only ways of thinking about improving dynamics that are not working for the family, but also thinking about how we can bolster families' strengths? One way to do this is by talking about the importance of thoughtfully cultivating the practices of laughter and joy with parents of young children as a way to strengthen attachment, improve self‐esteem, and nourish peer social networks.
Keep Your Eye On…
Authors: Knopf Alison
Published: December 2020

The role of marketing to teen intention to use marijuana

The dangers of the ‘Benadryl challenge’
Why are younger children more likely to be diagnosed with ADHD?
Authors: Knopf Alison
Published: December 2020

A study published last fall in the October issue of Pediatrics by Vuori et al. found that the youngest children in the classroom are at the highest risk of being diagnosed with attention‐deficit/hyperactivity disorder (ADHD), and also at the highest risk of being prescribed medications, compared to older classmates. The study relied on a national registry from Finland and builds on other studies showing that a younger relative age increases the risk of being diagnosed with ADHD.
Stop spanking — aka hitting — your child, and use words
Authors: Knopf Alison
Published: December 2020

Not only is spanking deleterious to your child's development, but, according to a leading child clinician, it should be illegal. But half of parents in America do it.
Metastatic signet ring cell gastric carcinoma bypassing Virchow's node: An unexpected etiology of a painful neck mass
Authors: Di Stadio Arianna , D'Ascanio Luca , Latini Gino , Gradoni Paolo , Pandolfini Manlio , Tamburrano Tiziana , Ricci Giampietro , Maranzano Massimo , Brenner Michael J.
Published: December 2020

Metastatic lymph nodes of the head and neck are often associated with locoregional spread of mucosal squamous carcinoma, but in rare instances visceral malignancies may bypass Virchow's node. The possibility of distant metastasis should be considered.
Twin‐twin transfusion syndrome with anemia‐polycythemia developed during the third trimester of pregnancy
Authors: Shiraishi Tatsunori , Kizumi Osamu , Kumasaka Sakae , Suzuki Shunji
Published: December 2020

We present here a rare case of twin‐twin transfusion syndrome with anemia‐polycythemia developed at 34‐35 weeks of gestation.
Resuscitative endovascular balloon occlusion of the aorta for ruptured pancreaticoduodenal artery aneurysm
Authors: Mochida Yuki , Miyakuni Yasuhiko , Kaita Yasuhiko , Yamaguchi Yoshihiro
Published: December 2020

Resuscitative endovascular balloon occlusion of the aorta is useful as a troubleshooting response to hemorrhage and a temporary method for maintaining patient hemodynamics.
SARS‐CoV‐2–related ARDS in a maintenance hemodialysis patient: case report on tailored approach by daily hemodialysis, noninvasive ventilation, tocilizumab, anxiolytics, and point‐of‐care ultrasound
Authors: Galassi Andrea , Casanova Francesca , Gazzola Lidia , Rinaldo Rocco , Ceresa Marco , Restelli Elena , Giorgini Alessia , Birocchi Simone , Giovenzana Marco , Zoni Ulisse , Valli Federica , Massironi Laura , Belletti Sebastiano , Magagnoli Lorenza , Stucchi Andrea , Ippolito Michela , Carugo Stefano , Parazzini Elena , Cozzolino Mario
Published: December 2020

Without rescue drugs approved, holistic approach by daily hemodialysis, noninvasive ventilation, anti‐inflammatory medications, fluid assessment by bedside ultrasound, and anxiolytics improved outcomes of a maintenance hemodialysis patient affected by severe COVID‐19.
Recent Advances in Electrocatalysis of Oxygen Evolution Reaction using Noble‐Metal, Transition‐Metal, and Carbon‐Based Materials
Authors: Noor Tayyaba , Yaqoob Lubna , Iqbal Naseem
Published: December 2020

A considerable concern in exploring clean, efficient, and renewable energy resources to effectively replace fossil fuels and to combat the environmental problems and energy scarcities for a sustainable future has been observed. In this context, hydrogen is a clean, renewable, energetically efficient fuel with infinite potential for the future, which can generate a large amount of energy through the electrocatalytic splitting of earth‐abundant water resources. Noble metals, owing to their extraordinary efficiency and stability, are state‐of‐the‐art catalysts for the oxygen evolution reaction (OER) process. However, their scarcity and high cost hamper their commercialization. To replace these expensive noble‐metal‐based materials, researchers are extensively working on the development of cost effective, stable, conductive, and efficient non‐noble metal based materials such as transition metal oxides, borides, nitrides, sulfides, phosphides, selenides, perovskites oxides, and layered double hydroxides, where the incorporation of heteroatoms improves the electrocatalytic activity by modifying the electronic structure and enhances the conductivity and stability. In the case of transition‐metal based metal organic frameworks (MOFs) and MOF‐derived materials, the unique structure of MOFs with a high surface area and porosity, as well as rich redox chemistry of transition metals, leads to excellent response towards the OER process. Moreover, direct utilization of carbonaceous materials or making their composites with transition metals not only enhances the conductivity due to their conductive nature but also promotes stability by strongly binding with the electrocatalyst. Owing to the presence of functional groups on the surface or through different interactions, they provide multiple paths for facile electron and ion transport due to the sheet/network like structure, which help in the fine dispersion of electrocatalyst due to high surface area, prevent agglomeration, and in turn results in improved electrocatalytic activity. Besides these advances, a) there is still a need for a thorough understanding of reaction mechanism via in situ spectroscopic techniques to further optimize the composition and design of electrocatalyst to get desired results, b) the stability of the materials should be further enhanced to practically utilize synthesized material under harsh conditions without degradation, and c) the utilization of these optimized OER catalysts in a solar cell to consume solar energy (renewable energy source), remains a key requirement of the modern era.
Recent Advances in Enantioselective Desymmetrizations of Prochiral Oxetanes
Authors: Sandvoß Alexander , Wahl Johannes M.
Published: December 2020

Strain relief of oxetanes offers a plethora of opportunities for the synthesis of chiral alcohols and ethers. In this context, enantioselective desymmetrization has been identified as a powerful tool to construct molecular complexity and this has led to the development of elegant strategies on the basis of transition metal, Lewis acid, and Brønsted acid catalysis. This review highlights recent examples that harness the inherent reactivity of prochiral oxetanes and offers an outlook on the immense possibilities for synthetic application.
A novel lipase from Aspergillus oryzae WZ007 catalyzed synthesis of brivaracetam intermediate and its enzymatic characterization
Authors: Li Qi , Zhang Mengjie , Li Xiaojun , Zhang Yinjun , Wang Zhao , Zheng Jianyong
Published: December 2020

Brivaracetam is a structural derivative of the chiral drug levetiracetam and has been approved for the adjuvant treatment of partial epilepsy. As a new antiepileptic drug, it is widely used in a variety of epilepsy models. In this study, a novel lipase M16 derived from Aspergillus oryzae WZ007 was cloned, expressed, and used for chiral resolution. Lipase M16 has a high enantioselectivity to the racemic substrate (R,S)‐methyl 2‐propylsuccinate 4‐tert‐butyl ester, and the intermediate (R)‐2‐propylsuccinic acid 4‐tert‐butyl ester of brivaracetam was obtained efficiently. Under optimal conditions, the enantiomeric excess of substrate was up to 99.26%, and the e.e.p was 96.23%. The conversion and apparent E value were 50.63% and 342.48, respectively. This study suggests a new biocatalytic resolution via lipase M16 for preparing the brivaracetam chiral intermediate and its potential application in the pharmaceutical industry.
Braun werden ganz ohne Sonne
Authors: Emden Markus , Hild Pitt , Kallinna Kirsten , Murer Livia
Published: December 2020

Anliegen der in loser Folge erscheinenden Versuche ist es, Impulse für chemische Versuche zu geben, die gefahrlos zu Hause mit haushaltsüblichen Gegenständen durchgeführt werden können. Sie können damit als Quelle für das gemeinsame Ausprobieren mit Kindern zuhause dienen, in Kindergärten oder an Schulen sowie zur Verwendung bei Tagen der offenen Tür. Ein Stückweit sind sie zu verstehen als Antwort auf den oft gehörten Satz: „Ach, Du bist Chemiker/in? Dann mach doch mal eben ein Experiment.“
Pyrolysis of bamboo over Ce/Fe composite metal oxide catalyst to enhance the production of hydrocarbons and ketonic hydrocarbon precursors
Authors: Du Haoran , Zhong Zhaoping , Zhang Bo , Fu Jimin , Li Zhaoying
Published: December 2020

To obtain high‐value bio‐oil, pure ceria (CeO2) and a series of Ce/Fe composite metal oxides were synthesized via precipitation method and were used to enhance hydrocarbons and ketones production during catalytic pyrolysis of bamboo sawdust. The characterization results were comprehensively analyzed and revealed that doping CeO2 with Fe promoted the formation of a solid solution structure, which further increased the surface area and number of oxygen vacancies of the catalyst for deoxygenation. Experimental consequences demonstrated that, compared to non‐catalytic trial, the catalytic pyrolysis over CeO2 generated lower amounts of acids and aldehydes, and enhanced the conversion of large oxygenates to monofunctional hydrocarbon precursors via decarboxylation, deoxidation, and ketonization. The concentrations of hydrocarbons and ketones obtained over Ce/Fe catalysts were significantly higher than those obtained over CeO2, and that was attributed to the higher surface area and oxygen storage capacity of Ce/Fe catalysts. Particularly, the composite catalyst with the Ce/Fe molar ratio of 4 (Ce0.8Fe0.2) presented the most optimal deoxidation capacity in this study. The relative concentration of hydrocarbons generated over Ce0.8Fe0.2 was the highest, and monocyclic aromatics and short‐chain aliphatic hydrocarbons accounted for 47.13% and 29.72%, respectively, of the total hydrocarbons. Simultaneously, the amount of ketones, the main hydrocarbon precursors, obtained over Ce0.8Fe0.2 was significantly higher than that obtained over CeO2, and the fraction of linear and cyclic ketones of the total ketones increased from 45.96% for the non‐catalytic pyrolysis to 97.57%. This further confirmed that the mesoporous Ce/Fe composite catalysts efficiently catalyzed the aldol condensation and ketonization reactions.
Pyrolysis of Miscanthus and characterization of value‐added bio‐oil and biochar products
Authors: Singh Arshdeep , Nanda Sonil , Guayaquil‐Sosa Jesus Fabricio , Berruti Franco
Published: December 2020

Miscanthus, an invasive crop, has recently gained attention as an emerging energy crop because of certain traits like fast growth, high yield, ability to grow in marginal land, and resistance to extreme weather conditions. In this work, Miscanthus was selected as the feedstock for fast pyrolysis in a mechanically fluidized bed reactor at variable temperatures (400°C, 450°C, and 500°C) and vapour residence times (1.4, 2.7, and 5.2 seconds). Fast pyrolysis performed at 450°C with 1.4 seconds of vapour residence time gave the highest yield of bio‐oil (>50 wt%). Biochar obtained at different pyrolysis temperatures was activated at 900°C for 1.5 hours under CO2 atmosphere to enhance its value as a potential adsorption agent for pollutants. Several physicochemical characterization techniques were used to study the bio‐oils, biochars, and activated biochars obtained from the pyrolysis of Miscanthus. The absorption of methylene blue as a model dye was done to evaluate the performance of activated biochar vs the biochar precursors. Both pyrolysis and physical activation complemented each other as new technologies for energy extraction and material synthesis from Miscanthus.
Rational Design of Bimetallic Au/Cu Nanostructure: An Efficient Catalyst for Methanol Oxidation
Authors: Biswas Rathindranath , Singh Simranjeet , Ahmed Imtiaz , Patil Ranjit A. , Ma Yuan‐Ron , Haldar Krishna Kanta
Published: December 2020

We show the design of noble Au/Cu bimetallic nanostructures by a gentle solution process. Transmission electron microscopy (TEM), X‐ray diffraction (XRD), and X‐ray photoelectron spectroscopy (XPS) analysis confirm the presence of both Au and Cu in the Au/Cu bimetallic nanostructures. The Au/Cu catalyst was explored as an efficient electrocatalyst for methanol oxidation with a current density of 5.71 mA/cm2 at 0.46 V.
Illumination correction via support vector regression based on improved whale optimization algorithm
Authors: Wang Chao , Zhu Zefei , Chen Sheng , Yang Junyi
Published: December 2020

Variations in illumination lead to serious errors in the evaluation of chromatic aberration. We propose an illumination correction model based on the opposition‐based learning improved whale optimization algorithm for support vector regression optimization, named "OBL‐IWOA‐SVR." Because the initial population quality of the whale optimization algorithm has a significant impact on the solution speed and accuracy, the Opposition‐based learning strategy is adopted in this article to mix the original population and its opposite individuals and select the best as the new population, replacing the random initialization to generate a more suitable initial population. This increases the diversity of the population and thus overcomes the impact of the quality of the initial population on the algorithm performance. Secondly, the proposed algorithm adopts the adaptive weight and the convergence factor based on the variation of the cosine law to balance the algorithm's global exploration ability and local development ability and enhance the convergence accuracy. Finally, the algorithm utilizes good global searching ability to optimize the penalty factor and nuclear parameters and obtains the optimal support vector machine parameter combination to construct the illumination correction model OBL‐IWOA‐SVR accurately and robustly. Experimental results show that the illumination correction model proposed in this article is found superior to other models in significance analysis: the root mean square error of the proposed model is 0.0173, the smallest of all illumination correction models. Furthermore, the model exhibits good stability and high illumination estimation accuracy.
Dyed fabric illumination estimation with regularized random vector function link network
Authors: Zhou Zhiyu , Liu Dexin , Guo Jiushen , Zhang Jianxin , Zhu Zefei , Wang Chao
Published: December 2020

The unstable light source in the printing and dyeing environment would cause the change of fabric surface color and lead to serious color difference evaluation error. To solve this problem, a dyed fabric illumination estimation with regularized random vector functional link network (RRVFL) was proposed in this study. First, the Gray‐Edge framework is used to extract the color features of the sample images collected from the actual scene, and the extracted color features and the illumination information of the sample images constitute a data set. Then, considering the ill‐conditioned solution of the output weight of the traditional random vector functional link network (RVFL), regularization is proposed to solve this problem. Thus, we constitute a highly robust RRVFL dyed fabric illumination model. By analyzing the parameters that affect the precision of RRVFL model, the optimal parameters of RRVFL can be selected. Finally, the traditional RVFL, extreme learning machine (ELM), back‐propagation (BP), regularized extreme learning machine (RELM), support vector regression (SVR), and RRVFL estimation algorithm proposed in this study were compared and analyzed using the measurement standards of angle error, colorimetric error, and T‐test, respectively. The experimental results show that RRVFL has the best predictive results and the most stable performance compared with the traditional algorithm. RRVFL is 0.00036, 2.8050, 3.3518, 4.1669, and 2.9289 less than RVFL, ELM, BP, RELM, and SVR, respectively, in terms of average angle error. RRVFL is 0.0131, 0.0763, 0.0232, 0.0241, and 0.0221 lower than RVFL, ELM, BP, RELM, and SVR, respectively, in the average colorimetric error.
Three‐Color Imaging Enables Simultaneous Screening of Multiple RNA Targets on Small Molecule Microarrays
Authors: Jordan Deondre , Yang Mo , Schneekloth John S.
Published: December 2020

Small molecule microarray (SMM) technology has become a powerful tool used in high‐throughput screening for target‐based drug discovery. One area in which SMMs have found use is the identification of small molecule ligands for RNA. RNAs with unique secondary or tertiary three‐dimensional structures are considered to be attractive targets for small molecules. Complex RNA structures can form hydrophobic pockets suitable for small molecule binding, representing an opportunity for developing novel therapeutics. Our lab has previously taken a target‐based approach, screening a single target against many small molecules on an SMM platform. Here, we report a screening protocol for SMMs to investigate multiple RNAs simultaneously using multi‐color imaging. By introducing a mixture containing different fluorophore‐labeled RNAs, the fluorescence signal of each binding event can be observed simultaneously. Thus, the specificity of a hit compound binding to one RNA target over other highly abundant RNAs (such as tRNA or rRNA) can be easily evaluated. © 2020 Wiley Periodicals LLC.

Basic Protocol: RNA screening on SMMs by multi‐color imaging

Support Protocol 1: Preparation of SMM slides

Support Protocol 2: Fluorophore labeling of RNA through maleimide chemistry
Visualizing RNA Cytidine Acetyltransferase Activity by Northern Blotting
Authors: Bryson Keri M. , Thalalla‐Gamage Supuni , Meier Jordan L.
Published: December 2020

Cytidine acetyltransferases are an emerging class of nucleic‐acid‐modifying enzymes responsible for the establishment of N4‐acetylcytidine (ac4C) in RNA. In contrast to histone acetyltransferases, whose activity is commonly studied by western blotting, relatively few methods exist for quickly assessing the activity of cytidine acetyltransferases from a biological sample of interest or the distribution of ac4C across different RNA species. In this protocol, we describe a method for analysis of cellular cytidine acetyltransferase activity using dot‐ and immuno‐northern‐blotting‐based detection. © 2020 Wiley Periodicals LLC.

Basic Protocol 1: Detection of N4‐Acetylcytidine in RNA by dot blotting

Basic Protocol 2: Visualizing N4‐Acetylcytidine Distribution in RNA by northern blotting
Open OnDemand: State of the platform, project, and the future
Authors: Chalker Alan , Franz Eric , Rodgers Morgan , Dockendorf Trey , Johnson Doug , Sajdak Doris , White Joseph P. , Plessinger Benjamin D. , Zia Mohammad , Gallo Steven M. , Settlage Robert E. , Hudak David E.
Published: December 2020

High performance computing (HPC) has led to remarkable advances in science and engineering and has become an indispensable tool for research. Unfortunately, HPC use and adoption by many researchers is often hindered by the complex way these resources are accessed. Indeed, while the web has become the dominant access mechanism for remote computing services in virtually every computing area, HPC is a notable exception. Open OnDemand is an open source project negating this trend by providing web‐based access to HPC resources (
https://openondemand.org). This article describes the challenges to adoption and other lessons learned over the 3‐year project that may be relevant to other science gateway projects. We end with a description of future plans the project team has during the Open OnDemand 2.0 project including specific developments in machine learning and GPU monitoring.
Cu2ZnSnS4 Thin Film Fabricated by the Calcinated Nanocrystals
Authors: Chen Jin , Sun Yu , Ju Jiaqi , Wang Fengchao , Jin Yan , Zhang Canyun , Kong Jinfang , Peng Xiaogai , Wang Chenfei , Dong Hengxing , Chen Qinmiao , Dou Xiaoming
Published: December 2020

In the present work, Cu2ZnSnS4 (CZTS) thin film is successfully prepared by the calcinated nanocrystals with screen‐printing approach. The dependences of the obtained samples’ properties on the annealing parameters of temperature and time are well studied via X‐ray diffraction, Raman, field emission scanning electron microscopy, ultraviolet‐visible‐infrared (UV‐vis‐IR) spectroscopy, energy‐dispersive X‐ray spectroscopy, and X‐ray photoelectron spectroscopy treatments. The results suggested that the best performances of prepared sample can be obtained at 600 °C for 20 min. The obtained sample features a kesterite CZTS phase, a surface morphology consisting of microns nanoparticles, a Cu‐rich and Zn‐rich chemical composition, and an ideal band gap of 1.4 eV. Additionally, the impurity phase of copper sulfide resulting from Cu‐rich composition is needed to further improve in the next work.
Analysis of security and reliability in cognitive radio networks over Rayleigh channels
Authors: Sun Xiyuan , Xie Zhibin , Wang Yajun , Weng Zhihui , Zhang Zhenkai
Published: December 2020

Increasing the transmitting power will improve the system performance, but it will also increase the potential intercepted risk. Thus, the research of security‐reliability trade‐off (SRT) is valuable. In this paper, we investigate the physical layer security in cognitive radio network (CRN), which consists of a source node, a destination node, an eavesdropper, and multiple relays. The security and reliability are measured by intercept probability (IP) and outage probability (OP), respectively. Different from the previous researches, a more actual scenario is studied for the CRN in the Rayleigh fading environment; that is, the eavesdropper can eavesdrop on the secondary source (SS) and the relays. Besides, we consider the probability of false alarm and missing alarm and study their impact on the OP and IP for direct transmission (DT) and relay selective transmission (RST). The closed‐form expressions of OP and IP show that the false alarm affects the OP and the missing alarm has influence on the OP and IP. Furthermore, we accumulate the sum of the OPs for the RST in the two time slots and compare them with the DT, when we explore the OP. In addition, since the signals may be both intercepted in the two stages of RST, we analyze the IPs in the two time slots respectively and compare them with the DT separately. The simulation results show that the RST scheme can greatly improve the security and reliability by increasing the number of relays compared with the DT scheme.
Neuronal Hippo signaling: From development to diseases
Authors: Sahu Manas Ranjan , Mondal Amal Chandra
Published: December 2020

Hippo signaling pathway is a highly conserved and familiar tissue growth regulator, primarily dealing with cell survival, cell proliferation, and apoptosis. The Yes‐associated protein (YAP) is the key transcriptional effector molecule, which is under negative regulation of the Hippo pathway. Wealth of studies have identified crucial roles of Hippo/YAP signaling pathway during the process of development, including the development of neuronal system. We provide here, an overview of the contributions of this signaling pathway at multiple stages of neuronal development including, proliferation of neural stem cells (NSCs), migration of NSCs toward their destined niche, maintaining NSCs in the quiescent state, differentiation of NSCs into neurons, neuritogenesis, synaptogenesis, brain development, and in neuronal apoptosis. Hyperactivation of the neuronal Hippo pathway can also lead to a variety of devastating neurodegenerative diseases. Instances of aberrant Hippo pathway leading to neurodegenerative diseases along with the approaches utilizing this pathway as molecular targets for therapeutics has been highlighted in this review. Recent evidences suggesting neuronal repair and regenerative potential of this pathway has also been pointed out, that will shed light on a novel aspect of Hippo pathway in regenerative medicine. Our review provides a better understanding of the significance of Hippo pathway in the journey of neuronal system from development to diseases as a whole.
Comparison of environmental inference approaches for ecometric analyses: Using hypsodonty to estimate precipitation
Authors: Short Rachel A. , Pinson Katherine , Lawing A. Michelle
Published: December 2020

Ecometrics is the study of community‐level functional trait–environment relationships. We use ecometric analyses to estimate paleoenvironment and to investigate community‐level functional changes through time.

We evaluate four methods that have been used or have the potential to be used in ecometric analyses for estimating paleoenvironment to determine whether there have been systematic differences in paleoenvironmental estimation due to choice of the estimation method. Specifically, we evaluated linear regression, polynomial regression, nearest neighbor, and maximum‐likelihood methods to explore the predictive ability of the relationship for a well‐known ecometric dataset of mammalian herbivore hypsodonty metrics (molar tooth crown to root height ratio) and annual precipitation. Each method was applied to 43 Pleistocene fossil sites and compared to annual precipitation from global climate models. Sites were categorized as glacial or interglacial, and paleoprecipitation estimates were compared to the appropriate model.

Estimation methods produce results that are highly correlated with log precipitation and estimates from the other methods (p < 0.001). Differences between estimated precipitation and observed precipitation are not significantly different across the four methods, but maximum likelihood produces the most accurate estimates of precipitation. When applied to paleontological sites, paleoprecipitation estimates align more closely with glacial global climate models than with interglacial models regardless of the age of the site.

Each method has constraints that are important to consider when designing ecometric analyses to avoid misinterpretations when ecometric relationships are applied to the paleontological record. We show interglacial fauna estimates of paleoprecipitation more closely match glacial global climate models. This is likely because of the anthropogenic effects on community reassembly in the Holocene.
Autopolyploidy‐driven range expansion of a temperate‐originated plant to pan‐tropic under global change
Authors: Cheng Jiliang , Li Jun , Zhang Zheng , Lu Huan , Chen Guoqi , Yao Beibei , Dong Yingxue , Ma Ling , Yuan Xiaoxiao , Xu Jingxuan , Zhang Ying , Dai Weimin , Yang Xianghong , Xue Lifang , Zhang Yu , Zhang Chaobin , Mauricio Rodney , Peng Gary , Hu Shuijin , Valverde Bernal E. , Song Xiaoling , Li Yi , Stift Marc , Qiang Sheng
Published: December 2020

Angiosperms are believed to have emerged initially in the tropics and expanded their distribution range poleward through diverse mechanisms, for example polyploidization‐driven cold tolerance evolution. Reversed expansion from temperate to pan‐tropic climates through a polyploidization‐driven shift in heat tolerance remains largely unknown. Here, we found autopolyploidy in relation to the global expansion of Solidago canadensis from its temperate‐climate native range in North American to hot‐summer climate in an introduced range. Our cytogeographical study of 2,062 accessions from 471 locations worldwide demonstrates that ploidy levels correlate negatively with latitude and positively with average temperature. An isotherm‐dependent shift of the climate niches at the threshold of 20°–24°C between geo‐cytotypes can be attributed mainly to autopolyploidy‐driven differentiation of heat tolerance; only polyploids and not diploids are able to complete sexual reproduction, germinate, and grow in the hot‐summer climate of low latitudes. Ploidy‐dependent fertility appears to play a key role in the hot‐summer introduced range in the northern hemisphere through both pre‐adaptation and rapid post‐introduction adaptive evolution of delayed flowering and improved heat tolerance during embryo development. The MaxEnt model predicts continued expansion of this plant species under global change. These results provide new insights into the mechanisms governing autopolyploidy‐driven backward range expansion of plant species from temperate origins.