bluuebunny/crossref_metadata_2025 huggingface dataset:
A positron emission tomography imaging probe selectively targeting the BD1 bromodomain and extra-terminal domain
Authors: Bai Ping , Yan Liu , Bagdasarian Frederick A. , Wilks Moses Q. , Wey Hsiao-Ying , Wang Changning
Published: August 2022

Development of a novel brain-permeable PET probe for BET BD1 bromodomain imaging.
Crystal facet and phase engineering for advanced water splitting
Authors: Lee Mi Gyoung , Yang Jin Wook , Kwon Hee Ryeong , Jang Ho Won
Published: August 2022

This review covers the principles and recent advances in facet and phase engineering of catalysts for photocatalytic, photoelectrochemical, and electrochemical water splitting. It suggests the basis of catalyst design for advanced water splitting.
Computational investigation of the increased virulence and pathogenesis of SARS-CoV-2 lineage B.1.1.7
Authors: Murugan N. Arul , Javali Prashanth S. , Pandianb Chitra Jeyaraj , Ali Muhammad Akhtar , Srivastava Vaibhav , Jeyaraman Jeyakanthan
Published: August 2022

Using force-field and DFT based computational approaches, we investigate the reason behind the increased virulence of alpha variant of SARS-CoV-2. The binding free energies for spike proteins of wild and alpha variants with hACE-2 receptor were estimated in this study.
Cation structure-dependence of the induced free charge density gradient in imidazolium and pyrrolidinium ionic liquids
Authors: Wang Yufeng , Adhikari Laxmi , Baker Gary A. , Blanchard G. J.
Published: August 2022

The magnitude of the induced charge density gradient in ionic liquids depends on cation aliphatic chain length but not on cationic headgroup identity.
Quantum conductivity in the topological surface state in the SbV3S5 kagome lattice
Authors: Song Wei , Yan Zhengxin , Ban Liying , Xie You , Liu Wei , Kong Juntao , Li Weili , Cheng Qian , Xu Wuyue , Li Dongxin
Published: August 2022

We have successfully predicted the local topological bands and anomalous quantum Hall state in the frustrated kagome lattice SbV3S5.
Fabrication of 2D/2D BiOBr/g-C3N4 with efficient photocatalytic activity and clarification of its mechanism
Authors: Lei Jian , Gu Xiaomeng , Xiao Peipei , Ding Guangzhu , Yang Yang , Fu Xianliang , Long Baihua , Chen Shifu , Meng Sugang
Published: August 2022

2D/2D BOB/CN is applied for NFA degradation for the first time with high efficiency and stability, and the charge separation mechanism is demonstrated by EPR, in situ XPS and theoretical calculations.
Exploiting mixed conducting polymers in organic and bioelectronic devices
Authors: Keene Scott T. , Gueskine Viktor , Berggren Magnus , Malliaras George G. , Tybrandt Klas , Zozoulenko Igor
Published: August 2022

Mixed ionic-electronic conduction is a critical feature in a wide range of emerging electrochemical devices based on conjugated polymers exploiting transport, coupling, and charge carrier concentration modulation of both electronic and ionic charges.
Facile one pot synthesis of highly photoresponsive coinage metal selenides (Cu1.8Se and Ag2Se) achieved through novel Cu and Ag pyridylselenolates as molecular precursors
Authors: Karmakar Gourab , Tyagi Adish , Shah Alpa Y. , Nigam Sandeep , Wadawale A. P. , Kedarnath G. , Vats Bal Govind , Naveen Kumar N. , Singh Vishal
Published: August 2022

Phase pure Cu1.8Se and Ag2Se nanostructures were synthesized employing novel single source molecular precursors at relatively low temperature. These materials exhibit good photoresponsivity and stability under alternating light and dark conditions.
Lipid emulsion interfacial design modulates human in vivo digestion and satiation hormone response
Authors: Bertsch Pascal , Steingoetter Andreas , Arnold Myrtha , Scheuble Nathalie , Bergfreund Jotam , Fedele Shahana , Liu Dian , Parker Helen L. , Langhans Wolfgang , Rehfeld Jens F. , Fischer Peter
Published: August 2022

Lipid emulsions (LEs) with tailored digestibility have the potential to modulate satiation or act as delivery systems for lipophilic nutrients and drugs.
A fully automated primary neuron purification system using continuous centrifugal microfluidics
Authors: Intisar Aseer , Lee Seung Joon , Kim Yu-Gyeong , Kim Woon-Hae , Shin Hyun Young , Kim Min Young , Kim Jong Man , Lee Jungmin , Mo Yun Jeoung , Kim Yu Seon , Kim Seung-Hoon , Lee Yun-Il , Kim Minseok S.
Published: August 2022

Non-neuronal cells are depleted using immunomagnetic separation and density-gradient centrifugation, resulting in purified primary neurons, obtained 800× faster, while maintaining superior viability and purity, compared to the conventional method.
Ascorbic acid-modified dual-metal–organic-framework derived C-Fe/Fe3O4 loaded on a N-doped graphene framework for enhanced electrocatalytic oxygen reduction
Authors: Zhang Yating , Zhang Nana , Shen Lei , Lin Gang , He Pei , Suo Ke , Zhang Ting , Wang Xiaobo , Li Keke
Published: August 2022

A three-dimensional conductive network-based carbon nanostructured electrocatalyst for the ORR.
Deep eutectic solvent-assisted synthesis of poly(furfuryl alcohol) grafted carbon nanotubes: a metal free electrocatalyst for non-enzymatic glucose detection
Authors: Nguyen Thi Hong Anh , Tran Thao Quynh Ngan , Nguyen Thi Nhat Thang , Khue Van Thanh , Ngo Dai-Hung , Kumar Subodh , Cao Xuan Thang
Published: August 2022

We have synthesized a biomass-based metal-free electrocatalyst for glucose detection. It was observed that the nanocomposites having covalent interactions between the CNTs and PFA exhibited better performance than their analogous.
The selective production of CH4via photocatalytic CO2 reduction over Pd-modified BiOCl
Authors: Huang Zeai , Wu Jundao , Ma Minzhi , Wang Junbu , Wu Shuqi , Hu Xiaoyun , Yuan Chengdong , Zhou Ying
Published: August 2022

The selective production of CH4via photocatalytic CO2 reduction was achieved over Pd-modified BiOCl.
Mechanistic insight into Cp*Rh(iii)-catalyzed Lossen rearrangement vs C–N reductive elimination for the synthesis of pyridones
Authors: Ling Baoping , Xu Jianqiao , Jiang Yuan-Ye , Liu Peng , Feng Jin , Bi Siwei
Published: August 2022

A mechanism for the synthesis of rearranged and non-rearranged pyridones has been investigated using DFT calculations.
Fabrication of an imprinted polymer based graphene oxide composite for label-free electrochemical sensing of Sus DNA
Authors: Mughal Zaib un Nisa , Shaikh Huma , Baig Jamil Ahmed , Memon Shahabuddin , Sirajuddin  , Shah Shahnila
Published: August 2022

An innovative label-free electrochemical sensor was developed for selective detection of Sus (pig) Deoxyribonucleic acid (DNA) through adenine imprinted polypyrrole fabricated on the surface of allyl mercaptan modified GO (MIP/mGO).
Healthy and stable lighting via single-component white perovskite nanoplates
Authors: Cui Hao , Su Zhan , Ji Yu , Lan Tao , Zhang Jian-Bin , Ma Juan , Yang Liu , Chen Yu-Hui , Shen Hao-Ran , Wang Jiaqian , Liu Lihui , Cao Kun , Shen Wei , Chen Shufen
Published: August 2022

Single-component CsMnxPb1−xBr3 NPLs emitted healthy white light without harmful deep blue light (400–450 nm). Their white LED worked continuously for 240 minutes with a lower color drift of (±0.006, ±0.004).
Recent advances in catalytic oxidative reactions of phenols and naphthalenols
Authors: Bashir Muhammad Adnan , Wei Jian , Wang Huifei , Zhong Fangrui , Zhai Hongbin
Published: August 2022

This critical review aims to provide an overview of oxidative phenol and naphthalenol transformations in nature and synthetic chemistry.
Photoredox aerobic oxidation of unreactive amine derivatives through LMCT excitation of copper dichloride
Authors: Lian Pengcheng , Li Ruyi , Wang Lili , Wan Xiao , Xiang Zixin , Wan Xiaobing
Published: August 2022

Taking advantage of the chlorine radical as a HAT catalyst, a versatile oxidation system for unreactive amines has been well established.
Switching from ultrafast electron transfer to proton transfer in excited drug–protein complexes upon biotransformation
Authors: Tamarit Lorena , El Ouardi Meryem , Lence Emilio , Andreu Inmaculada , González-Bello Concepción , Vayá Ignacio , Miranda Miguel A.
Published: August 2022

The photoinduced processes from the protein-bound GFT result in electron transfer, while those related with the photoactive metabolite GFT-MB induce excited state proton transfer to form phenolate-like excited species.
Revealing the three-component structure of water with principal component analysis (PCA) of X-ray spectra
Authors: Jin Zhipeng , Zhao Jiangtao , Chen Gang , Chen Guo , Luo Zhenlin , Xu Lei
Published: August 2022

Combining principal component analysis of X-ray spectra with MD simulations, we experimentally reveal the existence of three basic components of water.
Speech-Language Pathologists' Feelings and Practices Regarding Technological Apps in School Service Delivery
Authors: Olszewski Arnold , Smith Erika , Franklin Amber D.
Published: August 2022

Purpose:

Thousands of technological applications (apps) have emerged in the past decade, yet few studies have examined how apps are used by speech-language pathologists (SLPs), their effectiveness, and SLPs' feelings regarding their use. This study explored how SLPs use apps and their feelings regarding their use in schools, as well as considerations made by SLPs prior to implementing apps in therapy sessions.

Method:

A survey was distributed electronically to school-based SLPs in Ohio, yielding 69 valid responses. The study probed SLP demographics, patterns of app use in schools, and feelings toward their use in a school setting.

Results:

Results showed 77% of SLPs reported using apps in their treatment sessions and reported generally positive feelings regarding app use. SLPs considered factors such as age, cognitive ability, and treatment targets when using apps in treatment. SLPs who reported not using apps cited personal preference and price as the most common factors influencing their decision. SLPs also noted concerns about excessive screen time.

Conclusions:

Results of this study carry clinical implications for future development and assessment of technology to be used for service delivery in schools. Given that the majority of school-based SLPs report using apps with their students, research on the role of apps in supporting learning for speech-language services is urgently needed.
Active vibration on offshore steel jacket platforms including delayed probabilistic actuator failures and resilient reliable sampled‐data control
Authors: Manivannan R. , Cao Yang , Chong Kil To
Published: August 2022

This paper examines the unified dissipative performance of Offshore Steel Jacket Platforms (OSJPs) which include actuator failures and probabilistic delays, through a resilient and reliable sampled‐data controller. In detail, random variables fetching the Bernoulli distribution are treated in particular for the stochastic time‐delays. By implementing the Lyapunov–Krasovskii functions(LKF) together with the Second Order Bessel–Legendre Inequality Technique (SOBLIT) and an improved Reciprocally Convex Inequality (RCI) approach, which provides impressive information about sampling to guarantee that the OSJP is unified dissipative. The proposed criterion is exhibited in the sort of linear matrix inequalities (LMIs) and highlights of this study is to examine the multi‐dynamic interpretation of OSJP with extended dissipativity indices. The advantage of the established methodology is explored for OSJPs with the existing results, which is carried out along with the proposed control law, using their values of the experimental parameters.
The H.E.S.S. transients follow-up system
Authors: Hoischen C. , Füßling M. , Ohm S. , Balzer A. , Ashkar H. , Bernlöhr K. , Hofverberg P. , Holch T. L. , Murach T. , Prokoph H. , Schüssler F. , Zhu S. J. , Berge D. , Egberts K. , Stegmann C.
Published: August 2022

Observations of astrophysical transients have brought many novel discoveries and provided new insights into the physical processes at work under extreme conditions in the Universe. Multi-wavelength and multi-messenger observations of variable objects require dedicated procedures and follow-up systems capable of digesting and reacting to external alerts to execute coordinated follow-up campaigns. The main functions of such follow-up systems are the processing, filtering, and ranking of the incoming alerts, the fully automated rapid execution of the observations according to an observation strategy tailored to the instrument, and real-time data analysis with feedback to the operators and other instruments. The High Energy Stereoscopic System (H.E.S.S.) has been searching for transient phenomena since its inauguration in 2003. In this paper, we describe the transients follow-up system of H.E.S.S. which became operational in 2016. The system allows H.E.S.S. to conduct a more versatile, optimised, and largely autonomous transient follow-up programme, combining all major functionalities in one systematic approach. We describe the design, central functionalities, and interfaces of the follow-up system in general and its three main components in detail: the Target of Opportunity (ToO) alert system, the data acquisition and central control system, and the real-time analysis. We highlight architectural decisions and features that enable fully automatic ToO follow-up and indicate key performance metrics of the subsystems. We discuss the system's capabilities and highlight the need for a fine-tuned interplay of the different subsystems in order to react quickly and reliably. Lessons learnt from the development, integration, and operation of the follow-up system are reviewed in light of new and large science infrastructures and associated challenges in this exciting new era of inter-operable astronomy.
Silicon-containing minerals as additives for farm animals
Authors: Feoktistova Natalya , Аkhmetova Venera , Мukhitov Аsgat , Ivanova Svetlana , Ziruk Irina
Published: August 2022

The article presents the results of scientific research on the use of silicon-containing minerals of the Ulyanovsk region deposit as feed additives. The materials prove that Silicon-containing additives based on natural zeolite and diatomite in the feeding of farm animals have a positive effect. The use of silicon-containing additives increases the growth processes in the body of young pigs, strengthens the strength of their bone tissue. Under the influence of application of additives, favorable conditions are created for the activity of cicatritial microflora. The use of application of additives for dairy cows helps to increase their productivity, improve the quality of milk composition, due to the intensive conversion of feed nutrients. The mechanism of Silicon-containing additives is due to the following processes: activation of enzymes of the gastrointestinal tract, increased absorption of nitrogen, vitamins and macro-and microelements; regulation of the composition and level of electrolytes, binding and excretion of toxins, harmful gases of heavy metals and radionuclides.
The effect of brine components on the quality and yield of smoked-boiled delicatessen products
Authors: Ivanova Raisa , Semenov Vladimir , Larionov Gennady , Kashanova Ekaterina , Mardarieva Natalia
Published: August 2022

Domestic producers use multicomponent brines for the production of delicatessen products. The composition of which includes a wide range of ingredients and food additives. The use of multicomponent brines is associated with the need to regulate biochemical processes in raw materials to improve marketability of finished products. The purpose of our research was to select the optimal percentage of brine introduction, to identify the effect of brine components on the quality of manufactured products and on the shelf life of finished products in vacuum packaging. The injection parameters, pressure, speed are set, optimal massage modes and the total operating time of the meat massager for the production of smoked-boiled products: carbonade and “meat nut” are selected. The output of finished products and the shelf life of smoked and boiled products in vacuum packaging in the refrigerator are also determined.
Basic control methods in the context of the use of digital technologies
Authors: Manakova Elena V. , Zyryanova Tatyana V. , Kot Ekaterina M.
Published: August 2022

The article discusses modern digital technologies used by tax authorities, their impact on business activities, which can reduce costs for organizations and individual entrepreneurs. Digital transformation to ensure a high level of tax administration will reveal elements of the shadow economy. The main attention in the work is paid to such type of control as tax monitoring, which has recently been actively introduced into the practice of working with major organizations. The levels of risks that will be key during monitoring are indicated.
Effect of short-term exposure to moderate temperatures on the residual strength of cracked fibre reinforced concretes
Authors: Caballero-Jorna Marta , Roig-Flores Marta , Serna Pedro
Published: August 2022

This work studies the effect of short-term exposure to the temperatures of -15°C, 5°C, 40°C and 60°C on the flexural performance of Fibre Reinforced Concretes (FRCs) with steel and synthetic fibres in cracked conditions. The results will be compared with the performance in cracked conditions at 20°C (submerged and air environments). The content of the fibres was chosen to guarantee similar residual strength in all the mixes. The beams were pre-cracked following EN 14651 at ambient temperature after 28 days, up to a crack mouth opening displacement (CMOD) of 0.5 mm. Afterwards, these beams were exposed for 3 days to moderate temperatures, and they were re-loaded up to failure maintaining the target temperature during the test. The residual strength at CMODs of 1.5, 2.5 and 3.5 mm was analysed. Concrete mixes were also characterised by compressive strength, air content, fresh density, and workability. The results show that residual strengths of cracked FRC are more sensitive to sub-zero temperatures than to warm temperatures, similar to the behaviour of uncracked specimens. Synthetic and steel FRCs presented enough flexural response after short-term exposure to moderate temperatures under cracked conditions.
Caractérisation des états de surface de bois d’eucalyptus et de pin d’Alep provenant de Zemmouri (Algérie)
Authors: Tazrout Mansour , Zerizer Abdellatif , Benotmane Benamar
Published: August 2022

Le présent travail porte sur la valorisation de deux espèces de bois algériens, l’Eucalyptus camaldulensisDehnh. et le pin d’Alep (Pinus halepensisMild.) par l’étude de leur aptitude à être usinés et à produire des états de surfaces satisfaisants. L’état de surface, caractérisé par la rugosité moyenneRad’une part, et l’épaisseur moyenne du copeauEm, calculée par la formule de Schlesinger d’autre part, ont été étudiés en fonction des paramètres d’usinage que sont la fréquence de rotationN, la profondeur de passeHet la vitesse d’avanceVf. L’analyse des résultats a montré que pour les deux espèces de bois,Radépend deHetVf, et atteint une valeur minimale pourH= 3 mm etVf= 10 m/min. Dans ce cas,Radu bois d’eucalyptus est inférieur à celui du bois de pin d’Alep. En revanche,Emdépend deHetVfpour le bois de pin d’Alep et deNetVfpour le bois d’eucalyptus. En outre, une corrélation significative a été trouvée entreRaetEmpour le bois des deux espèces, ce qui laisse dire queEmest un critère d’estimation de l’état de surface usinée. Les résultats obtenus sont encourageants et peuvent servir à l’industrie du bois dans le choix des conditions de coupe pour la transformation de ces espèces.
Blind source separation using hellinger divergence and copulas
Authors: Ourdou Amal , Ghazdali Abdelghani , Metrane Abdelmoutalib
Published: August 2022

Whenever there is a mixture of signals of any type, e.g. sounds, images or any other form of source signals, Blind Source Separation (BSS) is the method utilized to separate these signals from the observations. The separation is done without any prior knowledge about the mixing process nor the source signals. In literature multiple algorithms have been deployed for this particular problem, however most of them depends on Independent Component Analysis (ICA) and its variations assuming the statistical independence of the sources. In this paper, we develop a new algorithm improving the separation quality for both independent and dependent sources. Our algorithm used copulas to accurately model the dependency structure and the Hellinger divergence as a distance measure since it can convergence faster and it is robust against noisy source signals. Many simulations were conducted for various samples of sources to illustrate the superiority of our approach compared to other methods.
Diameter of the Cochlear Nerve Canal predicts Cochlear Nerve Deficiency in Children with Sensorineural Hearing Loss
Authors: Sorge Martin , Sorge Ina , Pirlich Markus , Fuchs Michael , Meuret Sylvia , Hirsch Franz Wolfgang , Dietz Andreas , Gräfe Daniel
Published: August 2022

Purpose Detection of cochlear nerve deficiency (CND) is usually straightforward using magnetic resonance imaging (MRI). In patients in whom MRI cannot be performed or imaging provides equivocal findings, computed tomography (CT) of the temporal bone might offer indirect evidence of CND. Our study aimed to derive a cut-off value for the diameter of the cochlear nerve canal (CNC) and internal auditory canal (IAC) in temporal bone CT to predict CND.

Materials and Methods This retrospective study included 70 children with sensorineural hearing loss (32 with CND and 38 control patients). The height, width, and cross-sectional area of the IAC and diameter of the CNCs were determined using temporal bone CT. Receiver operating characteristic (ROC) and Student’s t-tests were performed for each parameter.

Results The mean diameter of the CNCs was significantly smaller in children with CND than in the control group (1.2 mm versus 2.4 mm, p < .001). The optimal threshold for CNC for separation of the two groups was 1.9 mm, resulting in a sensitivity of 98.7 % and specificity of 89.2 %. The IAC dimensions could not distinguish between children with CND and controls.

Conclusion A CNC diameter of less than 1.9 mm is a reliable predictor of CND in children with sensorineural hearing loss.

Key Points: 

Citation Format
Diagnostik und Management der perioperativen Myokardischämie im Rahmen elektiver Eingriffe bei Aortenaneurysmen
Authors: Dovzhanskiy Dmitriy I. , Bischoff Moritz S , Jäckel Petra , Boeckler Dittmar
Published: August 2022

Einleitung Die perioperative Myokardischämie (PMI) stellt eine schwerwiegende postoperative Komplikation dar. Insbesondere die Aortenchirurgie gehört zu den Hochrisikoeingriffen in Bezug auf das kardiale Operationsrisiko. Ziel dieser Arbeit ist es, die Krankheitsverläufe von Patienten mit PMI nach elektiven Aortenaneurysmen-Operationen zu untersuchen.

Patienten und Methoden Es handelt sich um eine retrospektive Datenanalyse von elektiv im Zeitraum Januar 2005 bis Januar 2012 in der Klinik für Gefäßchirurgie und Endovaskuläre Chirurgie des Universitätsklinikums Heidelberg an der Aorta wegen Aneurysma operierten Patienten. Die Diagnose PMI wurde anhand einer Erhöhung des Serumtroponins gestellt. Es erfolgte eine Charakterisierung der PMI bezüglich des Zeitpunkt ihres perioperativen Auftretens, der klinischen Symptomatik sowie Besonderheiten der durchgeführten Diagnostik. Des Weiteren wurden Therapie-, Entlass- und Verlegungsmanagement analysiert.

Ergebnisse Insgesamt wurden im angegebenen Zeitraum 863 Patienten einem elektiven Aorteneingriff unterzogen. Eine PMI wurde bei 31 (3,6%) Patienten beobachtet, wobei in 21 von 31 (67,7%) Fällen eine konventionelle Operation erfolgt war. Bei 24 Patienten (77,4%) trat eine PMI während der ersten 3 postoperativen Tage auf. Mehr als die Hälfte der Patienten (16/31) waren klinisch asymptomatisch, in 77,4% der Fälle (24/31) war das Elektrokardiogramm unauffällig. In 25,8% der Patienten (8/31) lag der primäre Serumtroponinwert im Normbereich. Eine rein medikamentöse Therapie erfolgte in 17 Fällen (54,8%). Eine interventionelle Behandlung im Sinne einer Herzkatheteruntersuchung wurde in 12 Fällen (38,7%) durchgeführt, bei 2 (6,5%) Patienten wurde eine notfallmäßige aortokoronare Bypassanlage durchgeführt. Insgesamt 14 (45,1%) Patienten konnten direkt nach Hause entlassen werden, weitere 14 (45,1%) Patienten wurden zur Weiterbehandlung der PMI in ein Akutkrankenhaus
(einschließlich hausinterne Verlegung) verlegt. Zwei Patienten verstarben während des Krankenhausaufenthalts an Multiorganversagen.

Schlussfolgerung Die PMI ist eine häufige Komplikation im Rahmen elektiver Aorteneingriffe. Die Diagnostik der PMI kann bei gering ausgeprägter/okkulter Klinik im Rahmen der Intensivtherapie erschwert sein. Aufgrund der potenziell schwerwiegenden Folgen sollte eine Herzenzymdiagnostik frühzeitig eingeleitet werden, um eine zeitnahe kardiologische Therapie zu ermöglichen.
Potassium Alkoxide as an Efficient Catalyst for Nucleophilic Perfluoroalkylation: Attempt at Anion-Controlled Enantioselective Insertion of a Trifluoromethyl Group
Authors: Yurino Taiga , Ohkuma Takeshi , Yamashita Hiroyuki , Shan Yuanrong , Wu Zhen
Published: August 2022

Potassium alkoxide was found to be a highly active catalyst for the nucleophilic trifluoromethylation of carbonyl compounds. The catalytic system was successfully applied to the reactions of both aldehydes and ketones, affording the corresponding trifluoromethylated products in high yields at low catalyst loadings (0.1–0.01 mol%) in several solvents, such as THF, toluene, and CH2Cl2. In addition, the potassium salt of a Ru(II) complex bearing an (S)-2,2′-bis[bis(3,5-dimethylphenyl)phosphinyl]-1,1′-binaphthalene [(S)-XylBINAP] ligand and two l-threoninate ligands, prepared in situ, catalyzed the enantioselective trifluoromethylation of aromatic aldehydes, although the ee values were not satisfactory (less than 20%).
Photoinduced Tandem Cyclization of Alkynes with Phenylsulfinic Acids: Access to Sulfone-Substituted Dioxodibenzothiazepines or Dibenzazepines
Authors: Li Lijun , Liu Zhong-Quan , Li Zejiang , Chen Shiliu , Yan Qinqin , Fan Jie
Published: August 2022

Photoinduced tandem cyclization of alkynes with phenylsulfinic acids has been accomplished, which gives a mild strategy for the preparation of sulfone-substituted seven-membered N-heterocycles. A variety of scaled-up experiments, further transformations, and mechanistic studies were also operated in the follow-up work.
The Leipzig Health Atlas—An Open Platform to Present, Archive, and Share Biomedical Data, Analyses, and Models Online
Authors: Kirsten Toralf , Meineke Frank A. , Loeffler-Wirth Henry , Beger Christoph , Uciteli Alexandr , Stäubert Sebastian , Löbe Matthias , Hänsel René , Rauscher Franziska G. , Schuster Judith , Peschel Thomas , Herre Heinrich , Wagner Jonas , Zachariae Silke , Engel Christoph , Scholz Markus , Rahm Erhard , Binder Hans , Loeffler Markus ,   on behalf of the LHA team
Published: August 2022

Background Clinical trials, epidemiological studies, clinical registries, and other prospective research projects, together with patient care services, are main sources of data in the medical research domain. They serve often as a basis for secondary research in evidence-based medicine, prediction models for disease, and its progression. This data are often neither sufficiently described nor accessible. Related models are often not accessible as a functional program tool for interested users from the health care and biomedical domains.

Objective The interdisciplinary project Leipzig Health Atlas (LHA) was developed to close this gap. LHA is an online platform that serves as a sustainable archive providing medical data, metadata, models, and novel phenotypes from clinical trials, epidemiological studies, and other medical research projects.

Methods Data, models, and phenotypes are described by semantically rich metadata. The platform prefers to share data and models presented in original publications but is also open for nonpublished data. LHA provides and associates unique permanent identifiers for each dataset and model. Hence, the platform can be used to share prepared, quality-assured datasets and models while they are referenced in publications. All managed data, models, and phenotypes in LHA follow the FAIR principles, with public availability or restricted access for specific user groups.

Results The LHA platform is in productive mode (https://www.health-atlas.de/). It is already used by a variety of clinical trial and research groups and is becoming increasingly popular also in the biomedical community. LHA is an integral part of the forthcoming initiative building a national research data infrastructure for health in Germany.
Der Intraokulardruck nach Netzhauteingriffen
Authors: Weber Constance , Liegl Raffael , Mercieca Karl
Published: August 2022

Netzhauteingriffe können zu einem erhöhten Augeninnendruck führen. Die Ursachen hierfür sind vielfältig und schließen mechanische, aber auch pharmakologische Gründe ein. Die Therapie
besteht zunächst aus einer Lokaltherapie mit drucksenkenden Augentropfen. Bei unzureichendem Ansprechen sind chirurgische Eingriffe indiziert.
Recent Advances in the Generation of Onium Ylides for Sommelet–Hauser Rearrangements
Authors: Tayama Eiji
Published: August 2022

The Sommelet–Hauser rearrangement of X-benzylic onium ylides (X = heteroatom) is an interesting transformation in organic synthesis. This rearrangement proceeds via dearomative [2,3]-sigmatropic rearrangement, followed by aromatization to form a carbon(sp2)–carbon(sp3) bond. Few advances were made in studies performed around 2000 on this rearrangement because of several competitive side reactions and structural limitations. However, studies performed in the last 15 years on the rearrangement have remarkably expanded the substrate scope and synthetic applications. In this review, the utility of the Sommelet–Hauser rearrangement and recent advances for the generation of onium ylides are described.

1 Introduction

2 Base-Induced Rearrangement

3 Transition-Metal-Catalyzed Rearrangement

4 Light-Mediated Rearrangement

5 Aryne-Induced Rearrangement

6 Conclusions and Outlook
Wet-suction versus slow-pull technique for endoscopic ultrasound-guided fine-needle biopsy: a multicenter, randomized, crossover trial
Authors: Crinò Stefano Francesco , Conti Bellocchi Maria Cristina , Di Mitri Roberto , Inzani Frediano , Rimbaș Mihai , Lisotti Andrea , Manfredi Guido , Teoh Anthony Y. B. , Mangiavillano Benedetto , Sendino Oriol , Bernardoni Laura , Manfrin Erminia , Scimeca Daniela , Unti Elettra , Carlino Angela , Voiosu Theodor , Mateescu R. Bogdan , Fusaroli Pietro , Lega Stefania , Buscarini Elisabetta , Pergola Lorena , Chan Shannon M. , Lamonaca Laura , Ginès Àngels , Fernández-Esparrach Gloria , Facciorusso Antonio , Larghi Alberto
Published: August 2022

Background It is unknown whether there is an advantage to using the wet-suction or slow-pull technique during endoscopic ultrasound-guided fine-needle biopsy (EUS-FNB) with new-generation needles. We aimed to compare the performance of each technique in EUS-FNB.

Methods This was a multicenter, randomized, single-blind, crossover trial including patients with solid lesions of ≥ 1 cm. Four needle passes with 22 G fork-tip or Franseen-type needles were performed, alternating the wet-suction and slow-pull techniques in a randomized order. The primary outcome was the histological yield (samples containing an intact piece of tissue of at least 550 μm). Secondary end points were sample quality (tissue integrity and blood contamination), diagnostic accuracy, and adequate tumor fraction.

Results Overall, 210 patients with 146 pancreatic and 64 nonpancreatic lesions were analyzed. A tissue core was retrieved in 150 (71.4 %) and 129 (61.4 %) cases using the wet-suction and the slow-pull techniques, respectively (P = 0.03). The mean tissue integrity score was higher using wet suction (P = 0.02), as was the blood contamination of samples (P < 0.001). In the two subgroups of pancreatic and nonpancreatic lesions, tissue core rate and tissue integrity score were not statistically different using the two techniques, but blood contamination was higher with wet suction. Diagnostic accuracy and tumor fraction did not differ between the two techniques.

Conclusion Overall, the wet-suction technique in EUS-FNB resulted in a higher tissue core procurement rate compared with the slow-pull method. Diagnostic accuracy and the rate of samples with adequate tumor fraction were similar between the two techniques.
Stereospecific Synthesis of Substituted Sulfamidates as Privileged Morpholine Building Blocks
Authors: Stojiljkovic Uros , Meyer Claudio , Boulay Pierre , Wymann Matthias P. , Borsari Chiara , Hebeisen Paul , Rageot Denise
Published: August 2022

Morpholine is a heterocyclic moiety that is widely used in medicinal chemistry as a building block. It has unique physicochemical properties, as it can improve both pharmacokinetic and pharmacodynamic properties of active pharmaceutical ingredients. However, the efficient synthesis of enantiomerically pure morpholine building blocks remains challenging. Herein, we report the synthesis of optically pure 3-hydroxymethylmorpholine building blocks, as well as their sulfamidates, exploiting a stereospecific strategy from chiral pool material.
Iron-Catalyzed Benzene Ring Expansion of α-Azido-N-phenylamides
Authors: Wei Kaijie , Jiang Menglu , Yu Wei , Liang Siyu
Published: August 2022

Nitrenoid-mediated C–H insertion and cycloaddition reactions are gaining increasing importance in modern organic synthesis. However, the nitrene-mediated benzene ring expansion, which constitutes a potent tool for breaking the benzene ring, has sparely been explored for synthetic purposes. Herein we report that nitrene cycloaddition to the benzene ring can be enabled intramolecularly by iron catalysis. By using FeCl2 and N-heterocyclic carbene SIPr·HCl as the catalyst, α-azido-N-phenylamides can be converted into 1,3-dihydro-2H-azepin-2-ones in good yields through a novel skeleton rearrangement. The rearrangement features a cascade of nitrene cycloaddition, C–N cleavage, water addition, and electrocyclic ring-opening. In the case that the N-phenyl ring is substituted with a methoxy group at the meta or para position, azepin-2-one-fused imidazolinones can also be obtained. The present reactions provide an effective method for benzene ring expansion as well as for the preparation of azepin-2-one compounds.
Stereoselective Pd-Catalyzed Remote Hydroamination of Skipped Dienes with Azoles
Authors: Li Jian , Lin Guo-Qiang , He Zhi-Tao , Miao Han-Zhe , Liu Yang , Chen Ye-Wei , Lu Han-Yu
Published: August 2022

A novel palladium-catalyzed stereoselective remote ­hydroamination reaction is disclosed. A series of azoles and skipped dienes undergo the migratory allylic C–H amination in good yields and selectivities. A desymmetric migratory azolation process is also developed to highlight the reliability of the transformation. Preliminary mechanistic experiments corroborate the designed metal walking and allylic substitution cascade strategy via Pd–H catalysis, different from prior ligand-to-ligand hydrogen transfer pathway for conjugated dienes.
Asymmetric Synthesis of ent-Anorisol A and Its Stereoisomers and Confirmation of the Absolute Configuration of Anorisol A Isolated from Anogeissus rivularis
Authors: Soorukram Darunee , Chatpreecha Rungrawin , Kuhakarn Chutima , Leowanawat Pawaret , Reutrakul Vichai
Published: August 2022

Asymmetric synthesis of (2S,3S,4R,5S)-2-(2,4-dihydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dimethyltetrahydrofuran, named as ent-anorisol A, was accomplished. The uncommon relative 2,3-anti-3,4-syn-4,5-syn stereochemistry across the tetrahydrofuran ring of ent-anorisol A was constructed with high yield and good stereoselectivity via an acid-catalyzed direct cyclization of unprotected chiral 1,4-diarylbutane-1,4-diol with non-symmetrical aromatic rings. Except for the sign of the specific rotation value, the spectroscopic data of the synthetic ent-anorisol A are in good agreement with those reported for natural anorisol A isolated from Anogeissus rivularis. In addition, the (2R,3S,4R,5R) and (2S,3S,4R,5R) isomers of anorisol A were also synthesized. Comparison of the specific rotation value and the experimental electronic circular dichroism data of natural anorisol A with those of the synthesized ent-anorisol A, (2R,3S,4R,5R), and (2S,3S,4R,5R) derivatives confirms the 2R,3R,4S,5R configurations assigned for natural anorisol A.
Immobilization of Functionalized epi-Cinchonine Organocatalysts on Controlled Porous Glass Beads: Applications in Batch and ­Continuous Flow
Authors: Burke Anthony J. , Amorim Ana C. , Fonseca Daniela P. , Carreiro Elisabete P. , Hermann Gesine J. , Federsel Hans-Jürgen
Published: August 2022

A well-known squaramide-cinchonine organocatalyst was immobilized in a controlled way onto three types of commercial porous glass beads EziG™ (EziG OPAL, EziG Amber, and EziG Coral) and applied in asymmetric Michael reactions. The performance of the immobilized catalysts was evaluated under batch and continuous-flow conditions, showing promising results in both approaches. In batch reactions, 0.8 and 1.6 mol% of the immobilized cinchonine-squaramide provided the products with excellent yields (up to 99%) and enantioselectivities (up to 99% ee). These excellent results were also verified in the case of continuous-flow reactions, where also 0.8 and 1.6 mol% of the catalyst immobilized onto the glass beads afforded the product with extraordinary yields (up to 99%) and very high enantioselectivities (up to 97% ee). The immobilized catalysts could be recycled (up to seven cycles) using both approaches.
Direct Methenylation of 4-Alkylpyridines Using Eschenmoser’s Salt
Authors: Pigge F. Christopher , Shivers Grant N. , Tun Soe L. , McLean Shay L.
Published: August 2022

4-Alkylpyridines are converted into conjugated 1,1-disubstituted alkenyl pyridines (vinyl pyridines) upon treatment with excess ethyl chloroformate, triethylamine, and Eschenmoser’s salt. The reaction proceeds under mild conditions via alkylidene dihydropyridine intermediates.
A Novel Variant of the Short-Chain Enoyl-CoA Hydratase-1 Gene Presenting with a Mild Phenotype: The Second Case Report from India
Authors: Das Suman , Ray Biman K. , Chakraborty Uddalak , Kabiraj Sujoy
Published: August 2022

A 9-year-old girl presented with asymmetric abnormal twisting movements affecting her left side more than the right side, initially action induced, but later persistent. Examination revealed generalized persistent dystonia with choreoathetosis and right partial tonic ocular tilt reaction. Brain magnetic resonance imaging showed T1 and T2 fluid-attenuated inversion recovery (FLAIR) hypointense and T2 hyperintense signal changes in bilateral globus pallidi. Clinical exome sequencing revealed compound heterozygous variatnts in enoyl-CoA hydratase-1 (ECHS1) gene: a novel pathogenic variant in exon 6, chr10:g.133366045G > A (p.Gln224Ter) and a likely pathogenic variant in exon 5, chr10:g.133366990G > A (p.Ala173Val). Metabolic testing and arterial lactate levels were normal. She was treated with valine restricted diet, trihexiphenidyl, clonazepam, N-acetyl cysteine and mitochondrial cocktail, without significant improvement over the 6 months follow-up period.
Synthesis of Nitrogen Heterocycles by a C–C Cross-Coupling/Cycloisomerization Strategy
Authors: Langer Peter
Published: August 2022

The present article presents a personalized Account on the synthesis of nitrogen heterocycles by combination of regioselective Pd-catalyzed cross-coupling reactions of polyhalogenated heterocycles, i.e., Suzuki–Miyaura and Sonogashira reactions, with acid-mediated cycloisomerization reactions. In many cases, the products constitute new heterocyclic core structures and show interesting optical and electronic properties.

1 Introduction

2 Acridines

3 Phenathridines

4 Azapyrenes

5 Thienoquinolines

6 Pyrrolonaphthyridines

7 6-Aza-ullazines

8 Conclusions
Nonrelativistic limits of the relativistic Cucker–Smale model and its kinetic counterpart
Authors: Ahn Hyunjin , Ha Seung-Yeal , Kim Jeongho
Published: August 2022

We present sufficient frameworks for the uniform-in-time nonrelativistic limits for the relativistic Cucker–Smale (RCS) model and the relativistic kinetic Cucker–Smale (RKCS) equation. For the RCS model, one can easily show that the difference between the solutions to the RCS model and the CS model can be bounded by a quantity proportional to the exponential of time and inversely proportional to some power of the speed of light via a standard Grönwall-type differential inequality. However, this finite-in-time nonrelativistic limit result cannot be used in a uniform-in-time estimate due to the exponential factor of lifespan of solution as it is. For the uniform-in-time nonrelativistic limit, we split the deviation functional between the relativistic solution and the nonrelativistic solution into two parts (finite-time interval and infinite-time interval). In the finite-time interval, the deviation functional is bounded by a finite-in-time nonrelativistic limit result, and then, after a finite time, we use asymptotic flocking estimates with the same asymptotic momentum-like quantity for the RCS model and the CS model to show that the deviation functional can be made as small as possible. In this manner, we can derive a uniform-in-time nonrelativistic limit for the RCS model. For the RKCS equation, we use a uniform-in-time mean-field limit in a measure theoretic framework and a uniform-in-time nonrelativistic limit result for the RCS model to derive a uniform-in-time nonrelativistic limit for the RKCS equation.
The restricted random dislocation distribution model to describe ensembles of dislocations with a screw component in ZnO layers with a mosaic structure
Authors: Schifano R. , Wierzbicka A. , Dluzewski P. , Domagala J. Z. , Wozniak W. , Kurowska B. , Bazioti C. , Guziewicz E.
Published: August 2022

By applying the restricted random dislocation distribution model, solved using a discrete Hankel transform approach, it is shown that the shapes and characteristics of the ω-scans of the ZnO 00.2 reflection are mainly determined by the strain field introduced by dislocations with a screw component. On the other hand, no clear evidence of mosaicity or interfacial region contributions is found despite the layers exhibiting a c axis oriented residual columnar structure and a highly defective interface being present. The applied model not only permits a more precise estimation of the densities of dislocations, which present a screw component with respect to methods based on the analysis of the 00.2 peak ω-scan FWHM, but also gives an indication of their distribution characteristics with the extracted values, as well as their homogeneous/quasi-regular spacing, being confirmed by cross-sectional transmission electron microscopy observations.
Instability seeding mechanisms due to internal defects in inertial confinement fusion targets
Authors: Miller S. C. , Goncharov V. N.
Published: August 2022

Performance degradation in laser-driven inertial confinement fusion (ICF) implosions is caused by several effects, one of which is Rayleigh–Taylor instability growth. Defects in ICF targets, such as internal voids and surface roughness, create instability seeds in the shell as shocks propagate through the target. A comprehensive understanding of seeding mechanisms is essential to characterize the impact of target defects on inflight shell integrity and mass injection into the central, lower-density vapor region. An analysis of early-time behavior of both single-mode shell mass modulations and isolated voids is performed by examining the evolution of the acoustic waves launched by these target imperfections. A systematic study of localized perturbation growth as a function of defect placement and size is presented. The use of low-density ablator materials (such as foams) is suggested as a potential mitigation strategy to improve target robustness against the impact of defect-initiated growth.
Thin-shell effects on nonlinear bubble evolution in the ablative Rayleigh–Taylor instability
Authors: Liu Y. X. , Wang L. F. , Zhao K. G. , Li Z. Y. , Wu J. F. , Ye W. H. , Li Y. J.
Published: August 2022

The influence of thin-shell effects on the nonlinear evolution of two-dimensional single-mode ablative Rayleigh–Taylor instability (ARTI) is studied in the parameter range of inertial confinement fusion implosions. A new phase of unsaturated nonlinear bubble evolution caused by thin-shell effects is found. This is different from the traditional opinion that the bubble velocity becomes saturated after the ARTI evolution enters a highly nonlinear regime. A modified bubble velocity formula is proposed, based on the Betti–Sanz model [Betti and Sanz, Phys. Rev. Lett. 97, 205002 (2006)], considering the thin-shell effects. It is shown that the bubble velocity becomes saturated in the thick-target case after the ARTI evolution enters a highly nonlinear regime. In this case, the Betti–Sanz bubble dynamics model can predict the evolution of bubble velocity. However, when the thin-shell effects become significant in the case of kD0 < 100, where D0 is the initial thickness of the target and k is the perturbation wavenumber, the difference of the average acceleration between the bubble vertex and the spike tip can be much more significant than that of the thick-target case. In this situation, the nonlinear evolution of the ARTI bubbles will accelerate without saturation until the target breakup, which cannot be depicted by the Betti–Sanz model while the improved theory formula is applicative. The Betti–Sanz model and the improved theory formula are independent of the initial perturbation amplitude.
Electrical detection of graphene plasmons for mid-infrared photodetection and chemical sensing: A computational study
Authors: Doukas S. , Sharma P. , Goykhman I. , Lidorikis E.
Published: August 2022

Electrical detection of graphene plasmons is important for developing mid-infrared photodetection and sensing applications based on graphene. Here, we theoretically investigate a configuration based on graphene nanoribbons on silicon, forming a series of Schottky junctions. We calculate the heating up of charge carriers in graphene, following plasmon decay, and their thermionic emission across the junctions leading to the generation of photocurrent. We extract an external responsivity up to ≈110 mA/W with a corresponding noise equivalent power ≈190 pW/Hz0.5, specific detectivity D*≈4×106 Jones, and response time ≈12 ns. We further demonstrate how this platform can be used for developing label free chemical sensors, utilizing surface enhanced infrared absorption, where the analyte presence is directly monitored by the photocurrent change. The methods and conclusions derived in this work are applicable throughout the infrared spectrum, where graphene plasmons can be realized.
Deep learning-based quasi-continuum theory for structure of confined fluids
Authors: Wu Haiyi , Aluru N. R.
Published: August 2022

Predicting the structural properties of water and simple fluids confined in nanometer scale pores and channels is essential in, for example, energy storage and biomolecular systems. Classical continuum theories fail to accurately capture the interfacial structure of fluids. In this work, we develop a deep learning-based quasi-continuum theory (DL-QT) to predict the concentration and potential profiles of a Lennard-Jones (LJ) fluid and water confined in a nanochannel. The deep learning model is built based on a convolutional encoder–decoder network (CED) and is applied for high-dimensional surrogate modeling to relate the fluid properties to the fluid–fluid potential. The CED model is then combined with the interatomic potential-based continuum theory to determine the concentration profiles of a confined LJ fluid and confined water. We show that the DL-QT model exhibits robust predictive performance for a confined LJ fluid under various thermodynamic states and for water confined in a nanochannel of different widths. The DL-QT model seamlessly connects molecular physics at the nanoscale with continuum theory by using a deep learning model.