bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural, Bioactivity, Molecular Docking, Spectroscopic and Electronic Properties of a Synthesized Meldrum's Acid Derivative
Authors: Gökce Halil , Alpaslan Gökhan , Kaya Serdal , Çakır Nezaket 
Published: May 2021

AbstractThe molecular structure, tautomeric forms (enol and keto), spectroscopic and electronic properties of a synthesized Meldrum's acid derivative were studied by using the experimental (SCXRD, FT‐IR, NMR and UV) and computational (DFT/B3LYP/6‐311++G(d,p) level) methods. Hirshfeld surface analysis were used to investigate the presence of inter‐molecular interactions within crystal packing. The biological activity, drug‐likeness and interactions between the target protein and the ligand compound were studied byin silicoADME and molecular docking methods. The non‐linear optical (NLO) activity of the compound was determined with static computations of dipole moment, polarizability and first‐order hyperpolarizability values. Thermo‐chemical features were theoretically analyzed for both enol forms. Comparatively with the experimental vibrational frequencies, detailed assignments and interpretations of the computed harmonic vibrational wavenumbers were carried out in PED. The certain structural form at the room temperature of the compound was analyzed by1H‐ and13C‐NMR chemical shift studies. The UV, HOMO and LUMO analyses were studied to research electronic properties of the compound. The nature, structure and existence of the hyper‐conjugative interaction for the O−H⋅⋅⋅O intra‐molecular hydrogen bonding in two enolic forms were investigated with Natural Bond Orbital (NBO) analysis. The reactive sites were obtained from atomic charges and Molecular Electrostatic Potential (MEP) map.
Microwave‐Assisted Green Synthesis of 2,3‐Dihydroquinazolinones under Base‐ and Catalyst‐Free conditions
Authors: Kerdphon Sutthichat , Jongcharoenkamol Jira , Chatwichien Jaruwan , Singh Thishana , Channei Duangdao , Choommongkol Vachira , Rithchumpon Puracheth , Meepowpan Puttinan 
Published: May 2021

AbstractA facile and green one‐pot synthesis of 2,3‐dihydroquinazolinones, using microwave irradiation, has been developed. Dihydroquinazolinones were synthesized from 2‐aminobenzamide derivatives and various aldehydes in aqueous solution under base and catalyst free reaction conditions. The desired products, from aliphatic and aromatic aldehydes substrates, were obtained in 5 minutes with up to 99 % isolated yields.
Synthesis of Tetracyclic Indolines through Palladium‐Catalyzed Asymmetric Dearomative reaction of Aryl Iodides
Authors: Li Yuanfeng , Yue‐Su M. Sc. , Zhang Hong‐Yu , Zhang Yuecheng , Dong‐Han M. Sc. , Han Ya‐Ping , Zhao Jiquan , Liang Yong‐Min 
Published: May 2021

AbstractA palladium‐catalyzed asymmetric intramolecular Heck reaction of aryl iodides with alkynyl carboxylic acids has been developed, delivering various indoline frameworks in moderate to excellent yields (up to 95 %) with excellent enantioselectivities (up to 96 % ee) and diastereoselectivities (>20 : 1) using BINOL‐based phosphoramidite as chiral ligand. This cascade annulation protocol, which tolerates a broad variety of functional groups and is conducted under an argon atmosphere, provides efficient and atom‐economical access to structurally diverse 2,3‐disubstituted indolines bearing vicinal tertiary and quaternary stereocenters. Additionally, the synthetic products could be converted to useful unique indoline derivatives without loss of enantiomeric excess.
Corpus callosum size by neurosonography in fetuses with congenital heart defect and relationship with expected pattern of brain oxygen supply
Authors: Pérez‐Cruz M. , Gómez O. , Gibert M. , Masoller N. , Marimon E. , Lip‐Sosa D. , Bennasar M. , Bonet‐Carne E. , Gómez‐Roig M. D. , Martínez‐Crespo J. M. , Gratacós E. , Eixarch E. 
Published: May 2021

ABSTRACTObjectiveTo evaluate corpus callosum (CC) size by neurosonography (NSG) in fetuses with an isolated major congenital heart defect (CHD) and explore the association of CC size with the expected pattern of in‐utero oxygen supply to the brain.MethodsA total of 56 fetuses with postnatally confirmed isolated major CHD and 56 gestational‐age‐matched controls were included. Fetuses with CHD were stratified into two categories according to the main expected pattern of cerebral arterial oxygen supply: Class A, moderately to severely reduced oxygen supply (left outflow tract obstruction and transposition of the great arteries) and Class B, near normal or mildly impaired oxygenated blood supply to the brain (other CHD). Transvaginal NSG was performed at 32–36 weeks in all fetuses to evaluate CC length, CC total area and areas of CC subdivisions in the midsagittal plane.ResultsCHD fetuses had a significantly smaller CC area as compared to controls (7.91 ± 1.30 vs 9.01 ± 1.44 mm2; P < 0.001), which was more pronounced in the most posterior part of the CC. There was a significant linear trend for reduced CC total area across the three clinical groups, with CHD Class‐A cases showing more prominent changes (controls, 9.01 ± 1.44 vs CHD Class B, 8.18 ± 1.21 vs CHD Class A, 7.53 ± 1.33 mm2; P < 0.05).ConclusionsFetuses with major CHD had a smaller CC compared with controls, and the difference was more marked in the CHD subgroup with expected poorer brain oxygenation. Sonographic CC size could be a clinically feasible marker of abnormal white matter development in CHD. © 2021 International Society of Ultrasound in Obstetrics and Gynecology.
Ultrasonographic application in the diagnosis and treatment of cystitis‐ pyelonephritis syndrome in buffaloes (Bubalus bubalis): A novel approach
Authors: Kumar Tarun , Jajoria Chetan , Sindhu Neelesh , Punia Sunil , Sharma Maneesh 
Published: May 2021

AbstractBovine cystitis is an inflammation of the urinary bladder that may ascend to ureters to cause pyelonephritis. The aim of this study performed in buffaloes was to investigate the use of ultrasonographic imaging in the diagnosis of cystitis‐pyelonephritis syndrome followed by a novel treatment regimen. In all four buffaloes, diagnosis was confirmed using trans‐rectal ultrasonography, revealing non‐specific thickening of bladder wall, with reduced capacity and floating hyperechoic contents. Kidneys showed dilatation of right and/or left ureter, with loss of lobulations and cortex medullary differentiation. Successful treatment was achieved by flushing of the urinary bladder using a number 18 Foleys catheter guided by ultrasound twice a day for 5 days with 2.5% liquid betadine in combination with oral administration of ammonium chloride (0.2 mg/kg body weight) for 7 days. A rapid recovery was confirmed by clinical examination after 7 days and a further follow‐up 2 months post‐treatment.
A semianalytical solution of the modified two‐dimensional diffusive root growth model
Authors: Wang Jun , Huang Guanhua , Zhan Hongbin , Mohanty Binayak , Li Jiusheng , Zotarelli Lincoln 
Published: May 2021

AbstractAccurate estimation of the temporal and spatial root water uptake patterns in root zone is needed for an improved understanding of water and chemical transport dynamics in vadose zone. Rooting system is of great importance to describe the plant root water uptake directly. In this study, the diffusive root growth model was coupled with the Environmental Policy Integrated Climate (EPIC) crop growth model through changing the boundary condition, and a new semianalytical solution of the modified root diffusive model was derived considering the dynamic root length density distribution simulated by the EPIC crop growth model. To test the modified root growth model, the field‐measured data of maize (Zea mays L.) and tomato (Solanum lycopersicum L.) root length density distribution were used for parameter optimization. A MATLAB program was developed by coupling the modified root diffusive model with the genetic algorithm to facilitate the parameters optimization. Results showed that the simulated root length density distribution at different times was in a good agreement with the observed values. The RMSE and bias values ranged from 0.22 to 0.25 cm cm–3 and from −3.0 to 24.5%, respectively. The modified diffusive root growth model can therefore be used to simulate the two‐dimensional root growth during the crop growing period.
Approximate Bacon-Shor code and holography
Authors: Cao ChunJun , Lackey Brad 
Published: May 2021

Abstract
We explicitly construct a class of holographic quantum error correction codes with non-trivial centers in the code subalgebra. Specifically, we use the Bacon-Shor codes and perfect tensors to construct a gauge code (or a stabilizer code with gauge-fixing), which we call the holographic hybrid code. This code admits a local log-depth encoding/decoding circuit, and can be represented as a holographic tensor network which satisfies an analog of the Ryu-Takayanagi formula and reproduces features of the sub-region duality. We then construct approximate versions of the holographic hybrid codes by “skewing” the code subspace, where the size of skewing is analogous to the size of the gravitational constant in holography. These approximate hybrid codes are not necessarily stabilizer codes, but they can be expressed as the superposition of holographic tensor networks that are stabilizer codes. For such constructions, different logical states, representing different bulk matter content, can “back-react” on the emergent geometry, resembling a key feature of gravity. The locality of the bulk degrees of freedom becomes subspace-dependent and approximate. Such subspace-dependence is manifest from the point of view of the “entanglement wedge” and bulk operator reconstruction from the boundary. Exact complementary error correction breaks down for certain bipartition of the boundary degrees of freedom; however, a limited, state-dependent form is preserved for particular subspaces. We also construct an example where the connected two-point correlation functions can have a power-law decay. Coupled with known constraints from holography, a weakly back-reacting bulk also forces these skewed tensor network models to the “large N limit” where they are built by concatenating a large N number of copies.
Sample preparation strategy for the detection of steroid-like compounds using MALDI mass spectrometry imaging: pulmonary distribution of budesonide as a case study
Authors: Zecchi Riccardo , Franceschi Pietro , Tigli Laura , Amidani Davide , Catozzi Chiara , Ricci Francesca , Salomone Fabrizio , Pieraccini Giuseppe , Pioselli Barbara , Mileo Valentina 
Published: May 2021

AbstractCorticosteroids as budesonide can be effective in reducing topic inflammation processes in different organs. Therapeutic use of budesonide in respiratory diseases, like asthma, chronic obstructive pulmonary disease, and allergic rhinitis is well known. However, the pulmonary distribution of budesonide is not well understood, mainly due to the difficulties in tracing the molecule in lung samples without the addition of a label. In this paper, we present a matrix-assisted laser desorption/ionization mass spectrometry imaging protocol that can be used to visualize the pulmonary distribution of budesonide administered to a surfactant-depleted adult rabbit. Considering that budesonide is not easily ionized by MALDI, we developed an on-tissue derivatization method with Girard’s reagent P followed by ferulic acid deposition as MALDI matrix. Interestingly, this sample preparation protocol results as a very effective strategy to raise the sensitivity towards not only budesonide but also other corticosteroids, allowing us to track its distribution and quantify the drug inside lung samples.Graphical abstract
Treatment and Prognosis of Hepatic Epithelioid Hemangioendothelioma: A SEER Database Analysis
Authors: Chahrour Mohamad A. , Khachfe Hussein H. , Habib Joseph R. , El‐Asmar Rudy , Saifi Omran , Jamali Faek R. 
Published: May 2021

AbstractBackgroundHepatic epithelioid hemangioendothelioma (HEH) is a rare tumor that can affect multiple organs. Little is known about the pathophysiology, clinical course and management of this disease. The aim of this study is to determine survival rates and elucidate the role of various prognostic factors and therapeutic modalities as compared to surgery on patients with HEH.MethodsA retrospective analysis on patients diagnosed with HEH between 2004 and 2016 was performed utilizing the SEER database. Kaplan–Meier curves were constructed to determine overall and cancer‐specific survival, and the log‐rank test was used to compare between groups. To explore prognostic factors and treatment outcomes, univariable and multivariable Cox proportional hazard models were developed.ResultsA total of 353 patients with HEH (median age: 50.4 years) were identified. The most common surgery performed was liver resection (90.8%). One‐year OS in the surgical group and non‐surgical group was 86.6% and 61.0%, respectively, while 5‐year OS was 75.2% and 37.4%, respectively. On multivariable analysis, surgery emerged as a favorable prognostic factor [HR (95%CI): 0.404 (0.215–0.758) p value = 0.005]. Age > 65 years [HR (95%CI): 2.548 (1.442–4.506) p value = 0.001] and tumor size > 10 cm [HR (95%CI): 2.401 (1.319–4.37) p value = 0.004] were shown to be poor survival prognostic factors.ConclusionHEH is a rare disease that is poorly understood. Surgical intervention is associated with improved survival rates. Multicenter prospective collaborations are needed to improve our limited knowledge about this neoplasm and determine the optimal treatment strategy.
Soil N2O flux and nitrification and denitrification gene responses to feed-induced differences in the composition of dairy cow faeces
Authors: Meyer Stephanie , Grüning Maren Marine , Beule Lukas , Karlovsky Petr , Joergensen Rainer Georg , Sundrum Albert 
Published: May 2021

AbstractFaeces from cows with different milk yield and non-lactating cows were applied to soil to investigate whether soil N2O efflux is related to feeding-induced differences in faecal microbiome and abundances of nitrification and denitrification genes. Fungal 18S-rRNA gene abundance was the highest in the faeces of the non-lactating group. The 18S-rRNA/ergosterol ratio showed a strong positive correlation with the 18S-rRNA/fungal glucosamine ratio. The milk-yield groups did not affect the gene abundances of bacterial 16S rRNA, AOB amoA, nirS and nosZ clade I, or the 16S-rRNA/muramic acid (MurN) ratio. In contrast, nirK gene abundance was generally the lowest in the high-yield group. The 16S-rRNA/MurN ratio showed a strong positive correlation with the 16S-rRNA/bacterial PLFA ratio. Cow faeces application to soil increased microbial biomass and ergosterol contents as well as the gene abundances of 18S-rRNA and nosZ clade I, compared with the non-amended control soil. Cumulative ΣCO2 efflux was roughly twice as high as the control, without differences between the faeces treatments. Cumulative ΣN2O efflux showed a 16-fold increase after applying high-yield cow faeces to soil, which was above the sevenfold increase in the non-lactating faeces treatment. The ΣN2O efflux from soil was positively related to faecal MurN and total PLFA concentration but also to soil nirK at day 14. The comparison of genome markers with cell wall (glucosamine) and cell membrane components (ergosterol) showed that the fungal cells were much larger in energy-rich faeces than in C-limited soil. A cow diet reduced in protein decreased the ΣN2O efflux from faeces amended soil.
Characterization of technical skill progress in a standardized rabbit model for training in laparoscopic duodenal atresia repair
Authors: Etlinger Péter , Barroso Catarina , Miranda Alice , Moreira Pinto João , Lamas-Pinheiro Ruben , Ferreira Hélder , Leão Pedro , Kovács Tamás , Juhász László , Sasi Szabó László , Farkas András , Vajda Péter , Kálmán Attila , Géczi Tibor , Simonka Zsolt , Cserni Tamás , Nógrády Miklós , Fodor Gergely H. , Szabó Andrea , Correia-Pinto Jorge 
Published: May 2021

Abstract
Background
Laboratory skills training is an essential step before conducting minimally invasive surgery in clinical practice. Our main aim was to develop an animal model for training in clinically highly challenging laparoscopic duodenal atresia repair that could be useful in establishing a minimum number of repetitions to indicate safe performance of similar interventions on humans.

Materials and methods
A rabbit model of laparoscopic duodenum atresia surgery involving a diamond-shaped duodeno-duodenostomy was designed. This approach was tested in two groups of surgeons: in a beginner group without any previous clinical laparoscopic experience (but having undergone previous standardized dry-lab training, n = 8) and in an advanced group comprising pediatric surgery fellows with previous clinical experience of laparoscopy (n = 7). Each participant performed eight interventions. Surgical time, expert assessment using the Global Operative Assessment of Laparoscopic Skills (GOALS) score, anastomosis quality (leakage) and results from participant feedback questionnaires were analyzed.

Results
Participants in both groups successfully completed all eight surgeries. The surgical time gradually improved in both groups, but it was typically shorter in the advanced group than in the beginner group. The leakage rate was significantly lower in the advanced group in the first two interventions, and it reached its optimal level after five operations in both groups. The GOALS and participant feedback scores showed gradual increases, evident even after the fifth surgery.

Conclusions
Our data confirm the feasibility of this advanced pediatric laparoscopic model. Surgical time, anastomosis quality, GOALS score and self-assessment parameters adequately quantify technical improvement among the participants. Anastomosis quality reaches its optimal value after the fifth operation even in novice, but uniformly trained surgeons. A minimum number of wet-lab operations can be determined before surgery can be safely conducted in a clinical setting, where the development of further non-technical skills is also required.
Impfung gegen SARS-CoV-2 bei Krebspatienten
Authors: von Lilienfeld-Toal Marie , Rieger Christina , Giesen Nicola , Wörmann Bernhard 
Published: May 2021

ZusammenfassungPatient*innen mit Krebserkrankungen haben ein erhöhtes Risiko, schwere Verläufe einer COVID-19-Erkrankung zu erleiden. Spezifische Schutzmaßnahmen inkl. der COVID-19-Impfungen sind daher hier von besonderer Bedeutung. Eine durch Therapie und Grunderkrankung oftmals bedingte Abwehrschwäche kann jedoch eine Herausforderung für Impfstrategien bei diesen Patient*innen darstellen. Aktuell sind in Deutschland vier COVID-19-Impfstoffe zugelassen, zwei mRNA- und zwei vektorbasierte Impfstoffe, die alle eine sehr gute Wirksamkeit gegen schwere Krankheitsverläufe zeigen. Hinsichtlich des Wirkmechanismus ist allen vier Impfstoffen die Induktion einer Produktion virusspezifischer Proteine in menschlichen Zellen gemeinsam mit nachfolgender Aktivierung einer adaptiven Immunantwort. Für Krebspatient*innen und medizinisches Personal wird die Impfung priorisiert empfohlen. Ein optimaler Zeitpunkt für die Impfung bei Neuerkrankten scheint vor Beginn einer Tumortherapie zu sein. Aufgrund des erhöhten Risikos von Krebspatient*innen für schwere Verläufe von COVID-19 wird die Impfung jedoch auch unter laufender Tumortherapie empfohlen. Die Impfantwort ist hier allerdings möglicherweise reduziert. In den besonderen Konstellationen einer vorherigen Stammzelltransplantation oder einer B‑Zell-depletierenden Therapie wird nach Möglichkeit ein mehrmonatiger Abstand zwischen Therapie und Impfung empfohlen, da hier ansonsten mit einer deutlich reduzierten Impfantwort gerechnet werden muss. Wenn sich erste Hinweise auf nur eine geringe Serokonversion bei Krebspatient*innen nach einmaliger Impfung bestätigen, können zukünftige Empfehlungen in Richtung mehrfacher Impfungen bei diesen Patient*innen gehen.
Europäische Währungsunion: schlecht gerüstet für große Krisen
Authors: Heine Michael , Herr Hansjörg 
Published: May 2021

ZusammenfassungBereits vor der Corona-Krise zeigte die Europäische Währungsunion (EWU) eine unbefriedigende wirtschaftliche Entwicklung mit niedrigem Wachstum und zu geringer Inflation. Zur Krisenbekämpfung ist die Koordination zwischen Geld- und Fiskalpolitik notwendig. Unzureichende Lohnsteigerungen, die zu Deflation führen, müssen vermieden werden. Nicht zuletzt ist ein Mechanismus zur Stabilisierung des Finanzsystems und zum schnellen Umgang mit notleidenden Krediten erforderlich. Abgesehen von der Geldpolitik fehlt es der EWU an Institutionen, welche die notwendige Wirtschaftspolitik unterstützen. Es besteht somit die Gefahr einer langfristigen Stagnation in der EWU.
Mechanical properties of lightweight foam concrete filler for roadbed of high-speed railway
Authors: Cai De-Gou , Wei Shao-Wei , Ye Yang-Sheng , Zhang Qian-Li , Li Zhong-Guo , Li Si 
Published: May 2021

AbstractA high-speed railway has high requirements for line smoothness, and uneven settlement control is the primary factor considered in the design and operation of the subgrade. The emergence of lightweight subgrade structures meets the needs of the development of the high-speed railway. As a kind of filling material with good performance, lightweight foam concrete can effectively reduce the load and excessive settlement of subgrade and effectively reduce the cost of foundation treatment. This paper studied the dynamic characteristics of lightweight foam concrete with different wet densities and water-bearing states under train loading. The effects of wet density and fly ash content on the compressibility, impermeability, and frost resistance of lightweight foam concrete were analyzed in detail. The results show that the lightweight foam concrete still has high residual strength after compression, which is about 60% of its peak strength. Under different mix ratios, the critical dynamic stress of the lightweight foam concrete is generally 0.2–0.3 times the unconfined compressive strength, and the dynamic elastic modulus increases with the increase of wet density and cyclic stress amplitude. With the fly ash content increasing, the volume water absorption of lightweight foam concrete decreases first and then increases, and the critical value of fly ash content is 40%. The frost resistance of lightweight foam concrete gradually increases with the increase of wet density, and the dynamic elastic modulus of the sample with 279 kg·m−3 density lost 41.1% after 20 freeze–thaw cycles. When the content of fly ash is 20%, the frost resistance of lightweight foam concrete is equivalent to that of pure cement.