bluuebunny/crossref_metadata_2025 huggingface dataset:
Author Correction: Design and Molecular dynamic Investigations of 7,8-Dihydroxyflavone Derivatives as Potential Neuroprotective Agents Against Alpha-synuclein
Authors: Mohankumar Thangavel , Chandramohan Vivek , Lalithamba Haralur Shankaraiah , Jayaraj Richard L. , Kumaradhas Poomani , Sivanandam Magudeeswaran , Hunday Govindasamy , Vijayakumar Rajendran , Balakrishnan Rangasamy , Manimaran Dharmar , Elangovan Namasivayam
Published: March 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Transcriptome signature analysis repurposes trifluoperazine for the treatment of fragile X syndrome in mouse model
Authors: Ding Qi , Sethna Ferzin , Wu Xue-Ting , Miao Zhuang , Chen Ping , Zhang Yueqi , Xiao Hua , Feng Wei , Feng Yue , Li Xuan , Wang Hongbing
Published: March 2020

Fragile X syndrome (FXS) is a prevailing genetic disorder of intellectual disability and autism. There is no efficacious medication for FXS. Through in silico screening with a public database, computational analysis of transcriptome profile in FXS mouse neurons predicts therapeutic value of an FDA-approved drug trifluoperazine. Systemic administration of low-dose trifluoperazine at 0.05 mg/kg attenuates multiple FXS- and autism-related behavioral symptoms. Moreover, computational analysis of transcriptome alteration caused by trifluoperazine suggests a new mechanism of action against PI3K (Phosphatidylinositol-4,5-bisphosphate 3-kinase) activity. Consistently, trifluoperazine suppresses PI3K activity and its down-stream targets Akt (protein kinase B) and S6K1 (S6 kinase 1) in neurons. Further, trifluoperazine normalizes the aberrantly elevated activity of Akt and S6K1 and enhanced protein synthesis in FXS mouse. Together, our data demonstrate a promising value of transcriptome-based computation in identification of therapeutic strategy and repurposing drugs for neurological disorders, and suggest trifluoperazine as a potential treatment for FXS.
ONIOM investigations of the heme degradation mechanism by MhuD: the critical function of heme ruffling
Authors: Yuan Chang , Zhang Ying , Tan Hongwei , Li Xichen , Chen Guangju , Jia Zongchao
Published: March 2020

A unique ruffling conformation of hydroxyheme in MhuD inhibits its “on-site” monooxygenation but induces “remote-site” dioxygenation.
A large-area luminescent downshifting layer containing an Eu3+ complex for crystalline silicon solar cells
Authors: Yang Daqing , Liang Haiduo , Liu Yujie , Hou Man , Kan Liping , Yang Yijia , Zang Zijian
Published: March 2020

We present a large-area luminescent down-shifting layer consists of polyvinyl alcohol embedding a newly synthesized ternary Eu3+ complex. C-Si solar cell coated with this layer displayed an enhancement of ~15% in external quantum efficiency.
Quantifying dietary vitamin K and its link to cardiovascular health: a narrative review
Authors: Palmer Claire R. , Blekkenhorst Lauren C. , Lewis Joshua R. , Ward Natalie C. , Schultz Carl J. , Hodgson Jonathan M. , Croft Kevin D. , Sim Marc
Published: March 2020

Potential beneficial pathways by which vitamin K may reduce the risk of cardiovascular disease mortality.
Study on chemopreventive effects of raw and roasted β-glucan-rich waxy winter barley using an in vitro human colon digestion model
Authors: Schlörmann W. , Atanasov J. , Lorkowski S. , Dawczynski C. , Glei M.
Published: March 2020

Fermentation supernatants of barley flakes exhibit chemopreventive effects in LT97 colon adenoma cells without impact of roasting.
An aqueous miscible organic (AMO) process for layered double hydroxides (LDHs) for the enhanced properties of polypropylene/LDH composites
Authors: Zhang Qian , Guo Yixuan , Leroux Fabrice , Tang Pinggui , Li Dianqing , Wang Liren , Feng Yongjun
Published: March 2020

AMO D-LDH (h) antioxidants are fabricated using an acetone solvent, and the modified time is optimized based on the anti-aging performance of PP/D-LDH (h).
A novel C6N2monolayer as a potential material for charge-controlled CO2capture
Authors: He C. , Zhang M. , Li T. T. , Zhang W. X.
Published: March 2020

A novel C6N2monolayer is a promising charge-controlled CO2capture material with reversibility, high capacity and selectivity.
Cisplatin binds to the MDM2 RING finger domain and inhibits the ubiquitination activity
Authors: Cao Kaiming , Ding Xin , Sheng Yaping , Wang Yu , Liu Yangzhong
Published: March 2020

Cisplatin binds to the RING finger of MDM2, leading to the zinc-release and protein unfolding, resulting in the inhibition of MDM2-mediated ubiquitination.
N–H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines
Authors: Do Dinh Cao Huan , Protchenko Andrey V. , Fuentes M. Ángeles , Hicks Jamie , Vasko Petra , Aldridge Simon
Published: March 2020

Two-coordinate cations [(N-nacnac)E]+ (E = Si, Ge, Sn) react differently towards ammonia/amines: simple adduct formation (Ge,Sn) contrasts with N–H activation (Si).
A donor–acceptor type macrocycle: toward photolyzable self-assembly
Authors: Tian Tian , Qian Tingjuan , Jiang Tingting , Deng Yakui , Li Xiaopei , Yuan Wei , Chen Yulan , Wang Yi-Xuan , Hu Wenping
Published: March 2020

A donor–acceptor macrocyclic host is reported, which shows efficient photodecomposition with electron-donating guests, yielding photolyzable host–guest complexes or aggregates.
Mg2+ ion-catalyzed polymerization of 1,3-dioxolane in battery electrolytes
Authors: Sahadeo Emily , Wang Yang , Lin Chuan-Fu , Li Yue , Rubloff Gary , Lee Sang Bok
Published: March 2020

Mg2+ ions in electrolytes can catalyze the polymerization of 1,3-dioxolane to form poly-DOL while anion pairs affect their capability.
Cocrystals/salt of 1-naphthaleneacetic acid and utilizing Hirshfeld surface calculations for acid–aminopyrimidine synthons
Authors: Garg Utsav , Azim Yasser , Kar Aranya , Pradeep Chullikkattil P.
Published: March 2020

Revisit of acid–aminopyrimidine synthons to explore the robustness in presence of linear hetrotetramer and heterotrimer synthon.
Study of the GaAs/SiH van der Waals type-II heterostructure: a high efficiency photocatalyst promoted by a built-in electric field
Authors: Han Shuaicheng , Li Yuee , Chai Jian , Wang Zhong
Published: March 2020

The built-in electric field promotes GaAs/SiH as a high efficiency photocatalyst for water splitting in visible light.
High-resolution resonance-enhanced multiphoton photoelectron circular dichroism
Authors: Kastner Alexander , Koumarianou Greta , Glodic Pavle , Samartzis Peter C. , Ladda Nicolas , Ranecky Simon T. , Ring Tom , Vasudevan Sudheendran , Witte Constantin , Braun Hendrike , Lee Han-Gyeol , Senftleben Arne , Berger Robert , Park G. Barratt , Schäfer Tim , Baumert Thomas
Published: March 2020

By combining molecular beam techniques with high resolution resonance enhanced multi photon ionization followed by angular resolved photoelectron detection we pave the way for enantiomer specific molecular identification in multi-component mixtures.
A detailed description of the CO molecule adsorbed in InOF-1
Authors: Landeros-Rivera Bruno , Ibarra Ilich A. , Díaz-Ramírez Mariana L. , Vargas Rubicelia , Lara-García Hugo A. , Garza Jorge , Martínez Ana
Published: March 2020

CO interacts with the μ2-OH hydroxo groups of InOF-1 through O–H⋯O hydrogen bonds, and C⋯π interactions by the biphenyl rings.
Linear free energy relationships for transition metal chemistry: case study of CH activation with copper–oxygen complexes
Authors: Lan Zhenzhuo , Mallikarjun Sharada Shaama
Published: March 2020

We propose a computational framework for developing Taft-like linear free energy relationships to characterize steric effects on the catalytic activity of transition metal complexes.
Three-dimensional nitrogen–sulfur codoped layered porous carbon nanosheets with sulfur-regulated nitrogen content as a high-performance anode material for potassium-ion batteries
Authors: Zhang Ying , Tian Sheng , Yang Chenghao , Nan Junmin
Published: March 2020

Through the gel and nitrogen-sulfur co-doping process, a three-dimensional nitrogen-sulfur co-doped layered porous carbon nanosheet with adjusted nitrogen content was constructed as a high-performance anode material for potassium ion batteries.
Upgrading 1-butanol to unsaturated, carbonyl and aromatic compounds: a new synthesis approach to produce important organic building blocks
Authors: Mora Vargas Jorge , Tofaneli Morelato Luiz Henrique , Orduna Ortega Julieth , Boscolo Mauricio , Metzker Gustavo
Published: March 2020

Conversion of 1-butanol into added-value organic building blocks was achieved using fixed-bed flow reactor and Cu-based catalyst at 550 and 600 °C with and without methanol as addictive.
Hydrogen-bonded supramolecular micelle-mediated drug delivery enhances the efficacy and safety of cancer chemotherapy
Authors: Cheng Chih-Chia , Sun Ya-Ting , Lee Ai-Wei , Huang Shan-You , Fan Wen-Lu , Chiao Yu-Hsuan , Chiu Chih-Wei , Lai Juin-Yih
Published: March 2020

Multiple hydrogen-bonded supramolecular polymers tend to form stable spherical micelles with oppositely charged anticancer drugs in biological environments, which improves cellular drug uptake and more effectively induces apoptosis in cancer cells.
Temporal control of RAFT polymerization via magnetic catalysis
Authors: Reyhani Amin , Mazaheri Omid , Alivand Masood S. , Mumford Kathryn A. , Qiao Greg
Published: March 2020

Magnetic core–shell structured Fe3O4@Fe(ii)–MOF nanoparticles have enabled the temporal control of RAFT polymerization via an “on–off” process.
Temperature-regulated construction of hierarchical titanosilicate zeolites
Authors: Song Yue , Bai Risheng , Zou Yongcun , Feng Zhaochi , Yu Jihong
Published: March 2020

A temperature-regulated method was developed to construct anatase-free hierarchical TS-1 zeolite catalysts by utilizing a two-step hydrothermal crystallization strategy with tetrabutylammonium hydroxide as the sole organic template.
Effect of crystallinity on the recovery rate of superhydrophobicity in plasma-nanostructured polymers
Authors: Oh Ji-Hyun , Moon Myoung-Woon , Park Chung Hee
Published: March 2020

This study investigates the influence of molecular properties as well as the macroscopic structure on surface properties.
Intrinsic defect engineered Janus MoSSe sheet as a promising photocatalyst for water splitting
Authors: Xu Yimin , Yao Yongsheng , Yin Wenjin , Cao Juexian , Chen Mingyang , Wei Xiaolin
Published: March 2020

The Janus MoSSe sheet has aroused significant attention due to its band edge position and intrinsic dipole moment, making it a strong candidate for water splitting photocatalysis.
Convergent access to bis-1,2,4-triazinyl-2,2′-bipyridines (BTBPs) and 2,2′-bipyridines via a Pd-catalyzed Ullman-type reaction
Authors: Waters Gabrielle D. , Carrick Jesse D.
Published: March 2020

Access to functionalized BTBP complexants through a reductive coupling strategy decreases linearity of common synthetic strategies towards these relevant materials for separations.
Melamine-assisted synthesis of Fe3N featuring highly reversible crystalline-phase transformation for ultrastable sodium ion storage
Authors: Ma Xiangdong , Xiong Xunhui , Zeng Jinquan , Zou Pinjuan , Lin Zhang , Liu Meilin
Published: March 2020

A flexible Fe3N@C/3DNCF anode is fabricatedviaa green and scalable strategy, which exhibits highly reversible crystalline-phase transformation and superior cycling performance during sodium storage.
Highly dispersed ultrafine shell-like nano-Pt with efficient hydrogen evolution via metal boron organic polymers
Authors: Zhao Xue , Yang Ziqiong , Wang Wenjing , Li Yuxin , Zhou Xiaohai , Zhang Haibo
Published: March 2020

Hydrogen is considered as the most promising sustainable and economical energy source that can be used on a large scale as an alternative to fossil fuels, but its production requires additional catalysts.
A bioinspired hydrogen bond crosslink strategy toward toughening ultrastrong and multifunctional nanocomposite hydrogels
Authors: Lin Fengcai , Wang Zi , Chen Jingsi , Lu Beili , Tang Lirong , Chen Xuerong , Lin Chensheng , Huang Biao , Zeng Hongbo , Chen Yandan
Published: March 2020

A bioinspired hydrogen bond crosslink strategy enabled the physical hydrogels to possess exceptional mechanical properties, good self-recoverability, versatile adhesiveness, biocompatibility and antibacterial properties.
Liquid phase exfoliation of MoS2 and WS2 in aqueous ammonia and their application in highly efficient organic solar cells
Authors: Adilbekova Begimai , Lin Yuanbao , Yengel Emre , Faber Hendrik , Harrison George , Firdaus Yuliar , El-Labban Abdulrahman , Anjum Dalaver H. , Tung Vincent , Anthopoulos Thomas D.
Published: March 2020

Simple, scalable and cost-effective synthesis of quality two-dimensional (2D) transition metal dichalcogenides (TMDs) is critical for fundamental investigations but also for the widespread adoption of these low-dimensional materials in an expanding range of device applications.
Reversible transition of filamentary and ferroelectric resistive switching in BaTiO3/SmNiO3 heterostructures
Authors: Liu Yan-Dong , Hu Chuan-Zhu , Wang Jin-Jin , Zhong Ni , Xiang Ping-Hua , Duan Chun-Gang
Published: March 2020

We report a reversible transition between filamentary and ferroelectric resistive switching in BaTiO3/SmNiO3 heterostructures.
The construction and analysis of tumor-infiltrating immune cells and ceRNA networks in metastatic adrenal cortical carcinoma
Authors: Huang Runzhi , Liu Ziqi , Tian Tingli , Song Dianwen , Yan Penghui , Yin Huabin , Hu Peng , Zhu Xiaolong , Liu Yihan , Li Zhenyu , Meng Tong , Zhang Jie , Huang Zongqiang
Published: March 2020

Purpose: To construct and analyze tumor-infiltrating immune cell and ceRNA (competitive endogenous RNA) networks in metastatic adrenal cortical carcinoma (ACC).

Methods: A ceRNA network was established to identify the ceRNAs involved in metastasis of ACC based on 92 samples from TCGA, including 18 cases of metastasis and 74 cases of non-metastatic primary tumors. And the algorithm “cell type identification by estimating relative subsets of RNA transcripts (CIBERSORT)” was used to quantify the proportion of immune cells in ACC. In addition, predictive nomograms based on the types of important immune cells or ceRNAs were constructed to predict ACC prognosis. Moreover, we evaluated the relationships between metastatic ACC-specific immune cells and ceRNA networks to identify the potential immune gene characteristics.

Results: Ten prognostic biomarkers were identified as key members of the ceRNA network and three tumor-infiltrating immune cells were identified by CIBERSORT algorithm. Some important co-expression patterns between immune cells and ceRNAs network indicate significant correlation between Macrophages M0 and hsa-miR-130b-3p (P < 0.001), Macrophages M0 and H2AFX (P = 0.003).

Conclusions: The present study inferred that the metastasis-related ceRNAs of H2AFX, hsa-miR-130b-3p and Macrophages M0 might play important roles in ACC metastasis.
Spectroscopic patch model for massive stars using PHOEBE II and FASTWIND
Authors: Abdul-Masih Michael , Sana Hugues , Conroy Kyle E. , Sundqvist Jon , Prša Andrej , Kochoska Angela , Puls Joachim
Published: March 2020

Context. Massive stars play an important role in the mechanical and chemical evolution of galaxies. Understanding the internal processes of these stars is vital to our understanding of their evolution and eventual end products. Deformations from spherical geometry are common for massive stars; however, the tools that are currently available for the study of these systems are almost exclusively one-dimensional.

Aims. We present a new spectroscopic analysis tool tailored for massive stars that deviate from spherical symmetry. This code (entitled SPAMMS) is a spectroscopic patch model that takes the three-dimensional surface geometry of the system into account to produce spectral profiles at given phases and orientations.

Methods. In using the Wilson–Devinney-like code PHOEBE in combination with the nonlocal thermodynamic equilibrium radiative transfer code FASTWIND, we created a three-dimensional mesh that represents the surface geometry of our system and we assigned FASTWIND emergent intensity line profiles to each mesh triangle, which take the local parameters such as temperature, surface gravity, and radius into account. These line profiles were then integrated across the visible surface, where their flux contribution and radial velocity are taken into account, thus returning a final line profile for the visible surface of the system at a given phase.

Results. We demonstrate that SPAMMS can accurately reproduce the morphology of observed spectral line profiles for overcontact systems. Additionally, we show how line profiles of rapidly-rotating single stars differ when taking rotational distortion into account, and the effects that these can have on the determined parameters. Finally, we demonstrate the code’s ability to reproduce the Rossiter–Mclaughlin and Struve–Sahade effects.
La physique non-hermitienne des cavités optiques
Authors: Lalanne Philippe
Published: March 2020

Les nano-cavités, plus généralement les cavités électromagnétiques, sont des systèmes ouverts qui ne conservent pas l'énergie : leurs « modes propres », c’est-à-dire leurs résonances naturelles, soulèvent des difficultés théoriques qui ont longtemps freiné le développement d’une théorie modale. Des progrès récents importants viennent d’être enregistrés. Ils impactent la façon de modéliser et comprendre les nano-résonateurs. Ils prédisent aussi des effets contre-intuitifs qui conduisent à revisiter des grands classiques du confinement, comme l’effet Purcell ou la théorie de perturbation des cavités, souvent indûment considérés dans un cadre hermitien.
Qualität in der Kopf-Hals-Onkologie
Authors: Wiegand Susanne , Dietz Andreas
Published: March 2020

Eine fachlich-qualifizierte, patienten- und bedarfsgerechte, wirtschaftliche,
qualitativ hochwertige Versorgung von Patienten mit Kopf-Hals-Karzinomen ist
eine Herausforderung. Basis der Qualitätsoptimierung in der deutschen
Kopf-Hals-Onkologie sind qualitätsfördernde Rahmenbedingungen,
wie der Nationale Krebsplan, der Ausbau klinischer Krebsregister und das
Vorhandensein evidenzbasierter Leitlinien, die im Rahmen des 2008 initiierten
„Leitlinienprogramms Onkologie“ erstellt wurden (S3-Leitlinien
Mundhöhlenkarzinom und Larynxkarzinom). Aktuell gibt es in Deutschland
56 zertifizierte Kopf-Hals-Tumorzentren mit dem Ziel einer objektivierbaren
Qualitätssteigerung der Behandlung und einer Verbesserung des Outcomes
der Patienten. Verschiedene Qualitätsindikatoren wurden erarbeitet, es
gibt Programme zur Qualitätssicherung der Therapie sowie innerhalb von
Studien. Ziel des Referates ist es, Qualitätsstandards in der
Kopf-Hals-Onkologie darzustellen.
Indoor Wall Climbing with Childhood Cancer Survivors: An Exploratory
Study on Feasibility and Benefits
Authors: Däggelmann Julia , Prokop Aram , Lösse Vivien , Maas Volker , Otten Sarah , Bloch Wilhelm
Published: March 2020

Background Exercise interventions in pediatric oncology include primarily
traditional types of physical activity (PA) such as endurance and strength
training, while there is a growing interest in recreational types of PA for
pediatric cancer survivors, as well. One of these motivating and fun activities
is indoor wall climbing. Therefore, this exploratory study aims to evaluate the
feasibility and beneficial effects of a 10-week indoor wall climbing
intervention in pediatric oncology.

Patients Thirteen childhood cancer survivors aged 6–21 years were
included after cessation of their inpatient medical treatment of whom eleven
completed the study.

Methods Study participants completed measurements of physical functioning
at baseline (t0) and post-intervention (t1), as well as a questionnaire on
program satisfaction at t1.

Results Survivors participated in 57.43±31.77% of the
climbing sessions and no adverse events occurred. Most study participants
evaluated the climbing experience to be fun and motivational. One child stated
that the climbing intervention was too exhausting/overstraining.
Significant positive effects were found in terms of ankle DF-ROM and ankle DF
strength.

Discussion Indoor wall climbing seems feasible with childhood cancer
survivors and suggests beneficial potentials on physical functioning. However,
some preconditions (i. e. close supervision; slow increase of intensity;
sufficient breaks) must be ensured.

Conclusion Indoor wall climbing could be a motivational adjunct to
traditional types of exercise in pediatric oncology.
Delayed Neurological Deterioration after Depressed Fracture over Superior Sagittal Sinus: Our Experience with 13 Patients
Authors: Elshanawany Ahmed , Ragab Mahmoud
Published: March 2020

Objective To present our experience in the diagnosis and management protocol of 13 patients with a depressed skull fracture over the superior sagittal sinus (SSS) who developed delayed neurologic deterioration.

Patients and Methods This retrospective study was conducted in the Neurosurgical Department, Assiut University Hospitals, between May 2012 and May 2017. All patients with a depressed skull fracture over the SSS were reviewed. Only those patients who were neurologically intact after trauma but suffered delayed neurologic deterioration were included in this study. Preoperative characteristics of age, sex, cause of trauma, type and site of the depressed skull fracture, and clinical presentation were reviewed and evaluated. Neuroimaging including brain computed tomography and computed tomography venography were evaluated.

Results Of 612 patients with depressed skull fractures admitted to our department, 63 had the fracture segment on the SSS. Thirteen patients, nine males and four females, met the inclusion criteria (age range: 5–42 years). The most common cause of trauma was assault from others (seven patients). Eight patients had a compound depressed fracture; the other five fractures were simple. Interval between trauma and neurologic deterioration ranged between 4 days and 3 weeks. Clinical deterioration included decrease of consciousness, headache, blurred vision, and repeated vomiting. Deterioration of consciousness was seen in four patients. Eight patients had sixth cranial nerve palsy. Visual deterioration was seen in four patients. All the included patients were operated on for elevation of the depressed segment. Eleven patients improved; two patients who presented initially with visual deterioration did not improve. Their visual deterioration persisted after surgery. For both these patients, lumbar puncture revealed high cerebrospinal fluid (CSF) pressure. Clinical improvement followed the insertion of a thecoperitoneal shunt.

Conclusion Increased intracranial pressure (ICP) may follow a depressed fracture over the SSS. It may occur immediately after trauma or later. Surgical decompression with elevation of the depressed segment is indicated. Persistence of manifestations of raised ICP despite elevation of the depressed segment indicates the occurrence of an SSS thrombosis. CSF pressure should be measured to confirm the diagnosis and consider a thecoperitoneal shunt.
Recent Advances in the Synthesis of Enantiomerically Enriched Diaryl, Aryl Heteroaryl, and Diheteroaryl Alcohols through Addition of Organometallic Reagents to Carbonyl Compounds
Authors: Narayanaperumal Senthil , Schwab Ricardo S. , Teixeira Wystan K. O. , de Albuquerque Danilo Yano
Published: March 2020

Enantiomerically enriched diaryl, aryl heteroaryl, and dihetero­aryl alcohols are an important family of compounds known for their biological properties. Moreover, these molecules are highly privileged scaffolds used as building blocks for the synthesis of pharmaceutically relevant products. This short review provides background on the enantioselective arylation and heteroarylation of carbonyl compounds, as well as, the most significant improvements in this field with special emphasis on the application of organometallic reagents.

1 Introduction

2 Background on the Enantioselective Synthesis of Diaryl, Aryl Heteroaryl, and Diheteroaryl Alcohols

3 Organozinc Reagents

4 Organolithium Reagents

5 Grignard Reagents

6 Organoaluminum Reagents

7 Organotitanium Reagents

8 Organobismuth Reagents

9 Miscellaneous

10 Conclusion
Catalytic Asymmetric Transformations of Racemic Aziridines
Authors: Chai Zhuo
Published: March 2020

The catalytic asymmetric ring-opening transformations of aziridines represent an important strategy for the construction of various chiral nitrogen-containing molecular architectures. This short review covers the progress achieved in the catalytic asymmetric transformation of racemic aziridines, focusing on the catalytic strategies employed for each different type of such aziridines.

1 Introduction

2 Reaction of Racemic 2-Vinylaziridines

3 Reaction of Racemic 2-Alkylaziridines

3.1 Regiodivergent Parallel Kinetic Resolution

3.2 Kinetic Resolution

4 Reaction of Racemic 2-(Hetero)arylaziridines

4.1 Kinetic Resolution

4.2 Enantioconvergent Transformation

5 Reaction of Racemic Donor–Acceptor-Type Aziridines

6 Conclusion and Outlook
Unexpected Iodine-Promoted Aerobic Oxidation of α-Cyano-δ-keto Esters: A Facile Synthesis of α,δ-Dicarbonyl Esters
Authors: Zhang Ze , Xu Hui , Weng Ming-Yue , Chen Hong
Published: March 2020

An efficient and green method for the synthesis of various α,δ-dicarbonyl esters has been developed via a conjugate addition of ethyl cyanoacetates to chalcones and subsequent iodine-promoted aerobic oxidation. The present protocol features mild reaction conditions, high efficiency, easily available starting materials, and broad substrate scope.
Neonatal Vitamin D Status Is Associated with the Severity of Brain Injury in Neonatal Hypoxic–Ischemic Encephalopathy: A Pilot Study
Authors: McGinn Elizabeth A. , Powers Andria , Galas Madeline , Lyden Elizabeth , Peeples Eric S.
Published: March 2020

Objective The primary aim of this study was to evaluate the association between 25-hydroxyvitamin D (25OHD) concentration at birth and the short-term outcomes in neonatal hypoxic–ischemic encephalopathy (HIE). Our secondary aim was to evaluate the effect of postnatal vitamin D supplementation on outcomes in the perinatal period after hypoxic injury.

Study Design This retrospective cohort study included all infants ≥35 weeks gestation admitted to a regional level IV neonatal intensive care unit and diagnosed with moderate or severe HIE. Spearman correlation coefficients were used to evaluate associations between clinical outcomes including standardized brain magnetic resonance imaging (MRI) scores and either 25OHD concentrations in the first 48 hours of life or total vitamin D supplementation.

Result A total of 43 infants met inclusion criteria; 22 had 25OHD concentrations drawn within the first 48 hours. There was a significant inverse association between 25OHD concentration and brain injury on MRI (p = 0.017). There was a trend toward decreased ventilator days in infants receiving higher doses of vitamin D in the first week of life (p = 0.062), but there was no association between vitamin D dosing and MRI injury.

Conclusion These results support an association between lower vitamin-D levels and early adverse outcomes in HIE, including radiographic severity of brain injury.
Use of Perampanel and a Ketogenic Diet in Nonketotic Hyperglycinemia: A Case Report
Authors: Daida Atsuro , Hamano Shin-ichiro , Ikemoto Satoru , Hirata Yuko , Matsuura Ryuki , Koichihara Reiko , Oba Daiju , Ohashi Hirofumi
Published: March 2020

Background Nonketotic hyperglycinemia is a severe form of early onset epileptic encephalopathy caused by disturbances in the glycine cleavage system; the neurological damage is mainly attributed to overstimulation of the N-methyl-D-aspartate receptor.

Case The patient presented with a severe form of nonketotic hyperglycinemia and experienced frequent epileptic spasms and focal seizures, which were resistant to vigabatrin, adrenocorticotropic hormone therapy, and combined dextromethorphan and sodium benzoate treatments. By 9 months of age, perampanel reduced epileptic spasms by >50%. At 14 months of age, the ketogenic diet markedly reduced focal seizures and glycine levels in the cerebrospinal fluid.

Conclusion Perampanel reduced fast excitatory neuronal activity, which was induced by an α-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid receptor, followed by prolonged electrical depolarizations due to an N-methyl-D-aspartate receptor. Furthermore, the ketogenic diet may have modulated the excessive neurotoxic cascade through the N-methyl-D-aspartate receptor. Perampanel and ketogenic diet were effective for seizure control in our patient.
Dog-Assisted Therapy in Neurorehabilitation of Children with Severe Neurological Impairment: An Explorative Study
Authors: Hediger Karin , Boek Friederike , Sachers Julia , Blankenburg Ulrike , Antonius-Kluger Evelyn , Rist Bettina , Schaudek Martina , Staudt Martin , Kluger Gerhard
Published: March 2020

Background Dog-assisted therapy (DAT) is increasingly applied in neurorehabilitation of patients with severe neurological impairments. To date, there are only anecdotal reports investigating its effects.

Objectives This study was aimed to evaluate the potential of DAT in pediatric inpatient neurorehabilitation for severely neurologically impaired children and adolescents, to identify characteristics of patients receiving this therapy, characteristics of the therapy sessions, and to evaluate feasibility and extent of goal achievement.

Methods We retrospectively analyzed 850 DAT sessions performed between 2010 and 2017 at an inpatient neurorehabilitation center. The dataset included 196 children and adolescents (Md = 5.50, 0.58–20.33 years) suffering from severe neurological impairments (disorders of consciousness in 37 patients) of various etiologies. We extracted information regarding patient and session characteristics, analyzed the predefined goals with content analysis, and examined to what extent the goals were met during DAT. Data were analyzed using descriptive statistics.

Results Patients received an average of 4.34 therapy sessions. A total of 247 of 392 predefined goals (63%) were reached during DAT. The most frequently achieved goal was “enhancing fun” (83%), followed by “establishing contact and communication” (81%), and “relaxation” (71%). Only one critical incident regarding the dogs' safety occurred.

Conclusion DAT is a feasible approach and appears to facilitate emotional, social, and psychological goals in children and adolescents with severe neurological impairment.
Complexities of differentiable dynamical systems
Authors: Berger Pierre
Published: March 2020

We define the notion of localizable property for a dynamical system. Then, we survey three properties of complexity and relate how they are known to be typical among differentiable dynamical systems. These notions are the fast growth of the number of periodic points, the positive entropy, and the high emergence. We finally propose a dictionary between the previously explained theory on entropy and the ongoing one on emergence.
New scattering features of quaternionic point interaction in non-Hermitian quantum mechanics
Authors: Hasan Mohammad , Mandal Bhabani Prasad
Published: March 2020

Spectral singularities have been extensively studied over the last one and half decades for different non-Hermitian potentials in non-Hermitian quantum mechanics. The nature of spectral singularities has not been studied for the case of quaternionic potential. In the present work, we perform an analytical study on scattering from a quaternionic point interaction represented by a delta function. New features of spectral singularities are observed, which are different than the case of a complex (non-quaternionic) point interaction. The most notable difference is the occurrence of spectral singularity from the lossy point interaction, which is forbidden in the case of standard non-Hermitian quantum mechanics.
CRISP: A compact RF ion source prototype for emittance scanner testing
Authors: Poggi C. , Sartori E. , Zuin M. , Brombin M. , Cervaro V. , Fadone M. , Fassina A. , Fincato M. , Segalini B. , Serianni G.
Published: March 2020

A movable Allison type emittance scanner is being developed to characterize the phase-space distribution of Source for the Production of Ions of Deuterium Extracted from RF plasma, the prototype RF negative ion source of the ITER heating neutral beam injector. To test the electronics and verify the capability of the device to resolve nearby beamlets, a compact RF ion source prototype has been set up, capable of accelerating 1 mA of helium ions up to a voltage of 2 kV. A commercial 100 W RF generator creates a plasma inside a Pyrex tube, with a density between 1015 and 1016 m−3 and an electron temperature up to 15 eV. Three multi-aperture grids in accel–decel configuration extract and accelerate the ions, which are measured with a Faraday cup. We present in this paper the characterization of the ion source and its first operation, showing that it is suitable for the commissioning of the Allison scanner.
Analysis of the cesium distribution in the JT-60SA negative ion sources for steady long-pulse operation
Authors: Yoshida M. , Oohara W. , Ichikawa M. , Hiratsuka J. , Saquilayan G. Q. , Umeda N. , Kojima A. , Kashiwagi M.
Published: March 2020

To realize stable negative ion beams for 100 s required in the neutral beam injector of JT-60SA, a physical model to control cesium (Cs) distribution inside the negative ion source has been developed in order to maintain the stable negative ion production at the plasma grid (PG) surface with Cs. In this work, to quantitatively evaluate Cs coverage on the PG, a three-dimensional Cs transportation code was introduced to consider the spatial Cs distribution in the source. The spatial temperature distribution of the chamber wall was also introduced in this model. As a result, the reasonable variation of the Cs coverage for 100 s was obtained, compared to that in the initial model. Based on the modified model, the operational temperature of the chamber wall was proposed to be less than 60 °C to suppress the desorption of Cs in the chamber wall and to sustain the stable negative ion production. In addition, it was also suggested that a slightly higher wall temperature before the operation leads to a decrease in the amount of Cs stored at the chamber wall, resulting in suppression of Cs consumption in the ion source.
Phase-sensitive optical neural recording of cerebellum tissue on a flexible interface
Authors: Sohrabi Foozieh , Etezadi Dordaneh , Perin Rodrigo , Jahani Yasaman , Mohammadi Ershad , Hamidi Seyedeh Mehri
Published: March 2020

Knowing an increased number of patients suffering from mental disorders, neural signal recording and imaging have become highly prerequisite challenges for providing healing procedures. Despite the fact that novel optical techniques provide highly resolved imaging/recording of large neuron population, most of them suffer from insertion damage, tethering connection, labeling, and photobleaching deficiencies, among which plasmonic ellipsometry is a highly sensitive and label-free platform for detecting neural activity both quantitatively and qualitatively. In this paper, a flexible patterned plasmonic substrate is used as a sensing surface for phase-sensitive neural recording of a cerebellum tissue slice under electrical and chemical stimulations. Although the traditional reflection spectrum cannot represent the changes in neural activity with high precision, phase-sensitive neuroplasmonics can not only reveal the neural activity level but also distinguish different electrical and chemical stimulation types with a considerable phase splitting factor. This study can open up a new insight into label-free and flexible biological sensors with neuroscience applications.
Nonlinear circuit analysis of intermodulation currents in a floating Langmuir probe with a capacitive load
Authors: Kim Kyung-Hyun , Lee Moo-Young , Chung Chin-Wook
Published: March 2020

When dual frequency ωα, ωβ voltages with small amplitudes are biased toward a floating Langmuir probe, intermodulation currents of iωβ±ωα, iωβ±2ωα are generated due to the nonlinearity of the sheath near the probe tip. Electron temperatures and plasma densities can be obtained from the intermodulation currents using the sideband method. If the probe has a capacitive load such as a contaminated probe tip, harmonic and intermodulation voltages of the probe bias can be applied to the sheath. The sideband method can be modified using a harmonic balance technique that analyzes the nonlinear circuit. The intermodulation currents from the modified sideband were compared with the measured intermodulation currents. The electron temperatures and plasma densities obtained from the intermodulation currents are in close agreement with those of the electron energy probability functions in argon inductively coupled plasmas.
Fan-out enabled spin wave majority gate
Authors: Mahmoud Abdulqader , Vanderveken Frederic , Adelmann Christoph , Ciubotaru Florin , Hamdioui Said , Cotofana Sorin
Published: March 2020

By its very nature, Spin Wave (SW) interference provides intrinsic support for Majority logic function evaluation. Due to this and the fact that the 3-input Majority (MAJ3) gate and the inverter constitute a universal Boolean logic gate set, different MAJ3 gate implementations have been proposed. However, they cannot be directly utilized for the construction of larger SW logic circuits as they lack a key cascading mechanism, i.e., fanout capability. In this paper, we introduce a novel ladder-shaped SW MAJ3 gate design able to provide a maximum fanout of 2 (FO2). The proper gate functionality is validated by means of micromagnetic simulations, which also demonstrate that the amplitude mismatch between the two outputs is negligible, proving that an FO2 is properly achieved. Additionally, we evaluate the gate area and compare it with SW state-of-the-art and 15 nm CMOS counterparts working under the same conditions. Our results indicate that the proposed structure requires a 12× less area than the 15 nm CMOS MAJ3 gate and that at the gate level, the fanout capability results in 16% area savings, when compared to the state-of-the-art SW majority gate counterparts.
NQontrol: An open-source platform for digital control-loops in quantum-optical experiments
Authors: Darsow-Fromm Christian , Dekant Luis , Grebien Stephan , Schröder Maik , Schnabel Roman , Steinlechner Sebastian
Published: March 2020

In this paper, we present NQontrol, a digital feedback-control solution based on the ADwin platform that delivers eight simultaneous feedback loops running with 200 kHz sampling frequency and offers five second-order filtering sections per channel for flexible shaping of the feedback loop. With this system, we demonstrate a Pound–Drever–Hall lock of an optical resonator and compare its performance to an analog reference implementation. A comprehensive support package written in Python, together with a web-based graphical user interface, makes the system quick to setup and easy to use, while maintaining the full flexibility of open-source platforms.
One-dimensional stacking miniaturized low-frequency metamaterial bulk for near-field applications
Authors: Gong Zhi , Yang Shiyou
Published: March 2020

Metamaterials (MTMs) are very promising in engineering applications because they can be used to easily manipulate the spatial and temporal distributions of electromagnetic fields and waves. Nevertheless, studies on MTMs have been directed primarily toward high-frequency electromagnetics and optics. Consequently, the development and applications for MTMs in low-frequency electromagnetics still face some bottleneck problems and challenges. For example, deteriorated resonance strength and large unit dimensions are inevitable for low-frequency MTM unit cells. Moreover, the existing analytical, computational, and experimental methodologies for MTMs are not applicable for low-frequency cases. To address these problems, one-dimensional compact stacking miniaturized MTM bulk in the kHz frequency band, which is the lowest resonance frequency for passive MTMs reported to date in the literature, is proposed and fabricated. This work develops a miniaturized and high performance low-frequency MTM unit cell using a unit topology that consists of two spiral structures connected with a via and a lumped chip capacitor. A numerical model is proposed for performance simulations of the MTM unit cell, and a quality factor equivalence-based method is introduced. An experimental–numerical methodology is developed to extract the complex permeability of the MTM bulk. Comprehensive numerical computations and experimental studies significantly impact the investigation of the extraordinary performance of MTM-based near-field electromagnetic devices. Both numerical and experimental results have confirmed the feasibility and applicability of the presented work, which reveals the extraordinary physical properties of novel MTM-based electromagnetic devices.
A method to detect triplet exciton transfer from singlet fission materials into silicon solar cells: Comparing different surface treatments
Authors: Daiber Benjamin , Pujari Sidharam P. , Verboom Steven , Luxembourg Stefan L. , Tabernig Stefan W. , Futscher Moritz H. , Lee Jumin , Zuilhof Han , Ehrler Bruno
Published: March 2020

Singlet fission is one of the most promising routes to overcome the single-junction efficiency limit for solar cells. Singlet fission-enhanced silicon solar cells are the most desirable implementation, but transfer of triplet excitons, the product of singlet fission, into silicon solar cells has proved to be very challenging. Here, we report on an all optical measurement technique for the detection of triplet exciton quenching at semiconductor interfaces, a necessary requirement for triplet exciton or charge transfer. The method relies on the growth of individual, single-crystal islands of the singlet fission material on the silicon surface. The islands have different heights, and we correlate these heights to the quenching efficiency of triplet excitons. The quenching efficiency is measured by spatially resolved delayed fluorescence and compared to a diffusion–quenching model. Using silicon capped with a blocking thermal oxide and aromatic monolayers, we demonstrate that this technique can quickly screen different silicon surface treatments for triplet exciton quenching.
Two paradigmatic scenarios for inverse stochastic resonance
Authors: Bačić Iva , Franović Igor
Published: March 2020

Inverse stochastic resonance comprises a nonlinear response of an oscillatory system to noise where the frequency of noise-perturbed oscillations becomes minimal at an intermediate noise level. We demonstrate two generic scenarios for inverse stochastic resonance by considering a paradigmatic model of two adaptively coupled stochastic active rotators whose local dynamics is close to a bifurcation threshold. In the first scenario, shown for the two rotators in the excitable regime, inverse stochastic resonance emerges due to a biased switching between the oscillatory and the quasi-stationary metastable states derived from the attractors of the noiseless system. In the second scenario, illustrated for the rotators in the oscillatory regime, inverse stochastic resonance arises due to a trapping effect associated with a noise-enhanced stability of an unstable fixed point. The details of the mechanisms behind the resonant effect are explained in terms of slow–fast analysis of the corresponding noiseless systems.
Direct-space–self-consistent-phonon treatment of monolayer structures and dynamics
Authors: Novaco Anthony D.
Published: March 2020

Computations, which would have been intractable just a few years ago, are now possible on desktop workstations. Such is the case for the application of the Self-Consistent-Phonon (SCP) approximation to large monolayer clusters on structured surfaces, combining a SCP approach to the system dynamics with a random walk approach to finding the optimum positions of the adsorbed atoms. This combination of techniques enables the investigation of the stability, structure, and dynamics of incommensurate adsorbed monolayers at low temperatures. We refer to this approach as the Direct-Space–Self-Consistent-Phonon framework. We present the application of this framework to the study of rare-gas and molecular hydrogen adsorbates on the graphite basal-plane surface and (for xenon) the Pt(111) surface. The largest cluster size consists of 4096 particles, a system that is large enough to examine incommensurate phases without significant adverse boundary effects. The existence of “pseudo-gaps” in the phonon spectrum of nearly commensurate monolayers is demonstrated, and the implication of such “pseudo-gaps” for the determination of the location of any commensurate ↔ incommensurate phase transition is explored. The stability of striped incommensurate structures vs hexagonal incommensurate structures is examined. The inherent difficulties of using this approach for the highly quantum monolayer solids is shown to generate some particular problems. Nevertheless, we demonstrate that this approach to the stability, structure, and dynamics of quantum monolayer solids is a very useful tool in the theorist’s arsenal. By implication, this approach should also be useful in the study of adsorption on graphene and carbon nanotubes at low temperatures.
A parametric SPICE model for the simulation of spark gap switches
Authors: Pouncey J. Cameron , Lehr Jane M.
Published: March 2020

The use of SPICE-based software for the simulation of pulsed power systems—even large complex systems—has become commonplace in the pulsed power community. This is in contrast to earlier work in the field that relied on specially developed simulation codes such as Sandia’s Screamer or the Navy Research Lab’s Bertha, which natively incorporated models for common pulsed power components such as spark gap switches. Unlike these programs, SPICE programs provide a simple and familiar user interface and wide availability. However, SPICE programs do not include realistic models for key pulsed power circuit devices—including the spark gap switch. While simple switch models do exist in SPICE programs, these can only crudely approximate the behavior of a spark gap. This effort focuses on developing an SPICE circuit model for a gas-filled spark gap switch that is physically realistic while being simple enough to permit simulations to run in reasonable times on typical personal computers. Detailed information is provided for implementation in two common versions of SPICE: LTspice and Orcad PSPICE. Adaptation to other SPICE programs is possible with minimal modification. The model is intended as a design tool that uses physical parameters as inputs to connect it directly to the development of useable pulsed power systems. Data collected from the operation of a high-pressure pulsed-charged switch and a complete 12-stage Marx generator have been used to demonstrate the implementation and accuracy of the model over a wide range of parameters.
Spin–phonon coupling in monoclinic BiCrO3
Authors: Araújo B. S. , Arévalo-López A. M. , Santos C. C. , Attfield J. P. , Paschoal C. W. A. , Ayala A. P.
Published: March 2020

Monoclinic BiCrO3, synthesized at high pressure and high temperature, presents interesting properties with anomalies of magnetic origin observed around 110 and 80 K, which are associated, respectively, with the rise of a G-type antiferromagnetic structure and the spin reorientation along one of the monoclinic axes. In this study, we report a strong spin–phonon coupling in monoclinic BiCrO3 observed by Raman spectroscopy. The renormalization of the phonon energy confirms the coupling with the magnetic orderings. Interestingly, some phonons exhibit this effect at the rising temperature of the G-type antiferromagnetic ordering, whereas others are sensitive to the second magnetic event. A renormalization model based on the mean-field theory, previously applied to other perovskite compounds, was used to analyze the spin–phonon coupling showing different behaviors associated with each magnetic phase.