bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ultrahigh‐Throughput Detection of Enzymatic Alcohol Dehydrogenase Activity in Microfluidic Droplets with a Direct Fluorogenic Assay
Authors: Klaus Miriam , Zurek Paul Jannis , Kaminski Tomasz S. , Pushpanath Ahir , Neufeld Katharina , Hollfelder Florian 
Published: October 2021

AbstractThe exploration of large DNA libraries of metagenomic or synthetic origin is greatly facilitated by ultrahigh‐throughput assays that use monodisperse water‐in‐oil emulsion droplets as sequestered reaction compartments. Millions of samples can be generated and analysed in microfluidic devices at kHz speeds, requiring only micrograms of reagents. The scope of this powerful platform for the discovery of new sequence space is, however, hampered by the limited availability of assay substrates, restricting the functions and reaction types that can be investigated. Here, we broaden the scope of detectable biochemical transformations in droplet microfluidics by introducing the first fluorogenic assay for alcohol dehydrogenases (ADHs) in this format. We have synthesized substrates that release a pyranine fluorophore (8‐hydroxy‐1,3,6‐pyrenetrisulfonic acid, HPTS) when enzymatic turnover occurs. Pyranine is well retained in droplets for >6 weeks (i. e. 14‐times longer than fluorescein), avoiding product leakage and ensuring excellent assay sensitivity. Product concentrations as low as 100 nM were successfully detected, corresponding to less than one turnover per enzyme molecule on average. The potential of our substrate design was demonstrated by efficient recovery of a bona fide ADH with an >800‐fold enrichment. The repertoire of droplet screening is enlarged by this sensitive and direct fluorogenic assay to identify dehydrogenases for biocatalytic applications.
A ruptured cornual pregnancy successfully managed in a patient with a history of oophorectomy and salpingectomy: A rare case report
Authors: Mansour Marah , Hamza Amr , AlMarzook AlHomam , kanbour Ilda moafak , Alsuliman Tamim , kurdi Bashar 
Published: October 2021

AbstractCornual pregnancy is a rare condition that accounts for approximately 2–4% of ectopic pregnancies worldwide. Herein, we report an unstable case of a 32‐year‐old woman with a history of oophorectomy and salpingectomy who was admitted for a ruptured cornual pregnancy in the left cornu, which was successfully managed by laparotomy.
Case series: Reinfection of recovered SARS CoV‐2 patients for the third time
Authors: Hasanzadeh Sepideh , Shariatmaghani Somayeh Sadat , Vakilian Atefeh , Javan Alireza , Rahmani Mahsa , Ganjloo Sara , Jangi Mahbubeh , Amel Jamehdar Saeid 
Published: October 2021

AbstractThis set of cases provides important evidence of re‐infection and recurrence of SARS‐CoV‐2 even for the third time. Consequently, this possibility should be considered more in recurrent patients with Covid‐19 symptoms.
Early Physical Organic Chemistry: Nikolai Aleksandrovich Menshutkin (1842–1907) and Reaction Velocities
Authors: Lewis David E. 
Published: October 2021

AbstractThe name of Menshutkin is most frequently associated with his eponymous reaction (the quaternization of tertiary amines with alkyl halides). However, he made encyclopedic contributions to the field of reaction kinetics, where he carried out extensive studies of the effects of reactant structure on the rates of esterification of monohydric, dihydric and trihydric alcohols with monocarboxylic acids, and monobasic and dibasic carboxylic acids and anhydrides with monohydric alcohols. In these studies, he deduced an order of reactivity of alcohols in esterification on the basis of their reactions with acetic acid, and the effects of acid structure on the rates of esterification based on the reaction of the carboxylic acid with isobutyl alcohol. When his attention later turned to the substitution chemistry of amines, he defined the parameters that affected their reactions: anilines were less reactive than alkylamines, secondary more reactive than primary amines, and the reaction was accelerated by replacing benzene as a solvent with alcohols. The wide‐ranging work of Menshutkin, the physical organic chemist, is discussed.
On‐Surface Formation of Cyano‐Vinylene Linked Chains by Knoevenagel Condensation
Authors: Au‐Yeung Kwan Ho , Kühne Tim , Becker Daniel , Richter Marcus , Ryndyk Dmitry A. , Cuniberti Gianaurelio , Heine Thomas , Feng Xinliang , Moresco Francesca 
Published: October 2021

AbstractThe rapid development of on‐surface synthesis provides a unique approach toward the formation of carbon‐based nanostructures with designed properties. Herein, we present the on‐surface formation of CN‐substituted phenylene vinylene chains on the Au(111) surface, thermally induced by annealing the substrate stepwise at temperatures between 220 °C and 240 °C. The reaction is investigated by scanning tunneling microscopy and density functional theory. Supported by the calculated reaction pathway, we assign the observed chain formation to a Knoevenagel condensation between an aldehyde and a methylene nitrile substituent.
A Copper(I)‐Catalyzed Sulfonylative Hiyama Cross‐Coupling
Authors: Adenot Aurélien , Anthore‐Dalion Lucile , Nicolas Emmanuel , Berthet Jean‐Claude , Thuéry Pierre , Cantat Thibault 
Published: October 2021

AbstractAn air‐tolerant Cu‐catalyzed sulfonylative Hiyama cross‐coupling reaction enabling the formation of diaryl sulfones is described. Starting from aryl silanes, DABSO and aryliodides, the reaction tolerates a large variety of polar functional groups (amines, ketones, esters, aldehydes). Control experiments coupled with DFT calculations shed light on the mechanism, characterized by the formation of a Cu(I)‐sulfinate intermediate via fast insertion of a SO2 molecule.
Flooding Prevention in Distillation and Extraction Columns with Aid of Machine Learning Approaches
Authors: Oeing Jonas , Neuendorf Laura Maria , Bittorf Lukas , Krieger Waldemar , Kockmann Norbert 
Published: October 2021

AbstractFlooding of separation columns is a severe limitation in the operation of distillation and liquid‐liquid extraction columns. To observe operation conditions, machine learning algorithms are implemented to recognize the flooding behavior of separation columns on laboratory scale. Besides this, the investigated columns already provided the modular automation interface Module Type Package (MTP), which is used for data access of necessary sensor data. Hence, artificial intelligence (AI) tools with deep learning offer high potential for the process industry and allow to capture operating states that are otherwise difficult to detect or model. However, the advanced methods are only hesitantly applied in practice due to complex combination of operational sensing, data analysis, and active control of the equipment. This article provides an overview on how AI‐based algorithms can be implemented in existing laboratory plants. Process sensor data as well as image data are used to model the flooding behavior of distillation and extraction columns for stable and robust operational conditions.
Primary hypothyroidism in childhood cancer survivors: Prevalence, risk factors, and long‐term consequences
Authors: Chemaitilly Wassim , Li Zhenghong , Brinkman Tara M. , Delaney Angela , Huang Sujuan , Bjornard Kari L. , Lam Catherine G. , Wilson Carmen L. , Barnes Nicole , Clark Karen L. , Krasin Matthew J. , Metzger Monika L. , Sheyn Anthony , Bishop Michael W. , Sabin Noah D. , Howell Rebecca M. , Helmig Sara , Shulkin Barry L. , Triplett Brandon M. , Pui Ching‐Hong , Gajjar Amar , Srivastava Deo Kumar , Green Daniel M. , Armstrong Gregory T. , Robison Leslie L. , Hudson Melissa M. , Ness Kristen K. , Sklar Charles A. , Krull Kevin R. 
Published: October 2021

BackgroundData on primary hypothyroidism and its long‐term impact on the health, cognition, and quality of life (QOL) of childhood cancer survivors are limited. This study examined the prevalence of and risk factors for primary hypothyroidism and its associations with physical, neurocognitive, and psychosocial outcomes.MethodsThis was a retrospective study with a cross‐sectional health outcome analysis of an established cohort comprising 2965 survivors of childhood cancer (52.8% male; median current age, 30.9 years, median time since cancer diagnosis, 22.3 years). Multivariable logistic regression estimated odds ratios (ORs) and 95% confidence intervals (CIs) for associations between primary hypothyroidism and cancer‐related risk factors, cardiovascular disease risk factors, frailty, neurocognitive and QOL outcomes, social attainment, and subsequent thyroid carcinoma. Associations between serum free thyroxine and thyrotropin levels at assessment and health outcomes were explored.ResultsThe prevalence of primary hypothyroidism was 14.7% (95% CI, 13.5%‐16.0%). It was more likely in females (OR, 1.06; 95% CI, 1.03‐1.08), was less likely in non‐Whites (OR, 0.96; 95% CI, 0.93‐0.99), was associated with thyroid radiotherapy (higher risk at higher doses), and was more common if cancer was diagnosed at an age ≥ 15.0 years versus an age < 5 years (OR, 1.05; 95% CI, 1.01‐1.09). Primary hypothyroidism was associated with frailty (OR, 1.54; 95% CI, 1.05‐2.26), dyslipidemia (OR, 1.52; 95% CI, 1.14‐2.04), impaired physical QOL (OR, 1.66; 95% CI, 1.12‐2.48), and having health care insurance (OR, 1.51; 95% CI, 1.07‐2.12).ConclusionsPrimary hypothyroidism is common in survivors and is associated with unfavorable physical health and QOL outcomes. The impact of thyroid hormone replacement practices on these outcomes should be investigated further.
Late health outcomes after dexrazoxane treatment: A report from the Children's Oncology Group
Authors: Chow Eric J. , Aplenc Richard , Vrooman Lynda M. , Doody David R. , Huang Yuan‐Shung V. , Aggarwal Sanjeev , Armenian Saro H. , Baker K. Scott , Bhatia Smita , Constine Louis S. , Freyer David R. , Kopp Lisa M. , Leisenring Wendy M. , Asselin Barbara L. , Schwartz Cindy L. , Lipshultz Steven E. 
Published: October 2021

BackgroundThe objective of this study was to examine long‐term outcomes among children newly diagnosed with cancer who were treated in dexrazoxane‐containing clinical trials.MethodsP9404 (acute lymphoblastic leukemia/lymphoma [ALL]), P9425 and P9426 (Hodgkin lymphoma), P9754 (osteosarcoma), and Dana‐Farber Cancer Institute 95‐01 (ALL) enrolled 1308 patients between 1996 and 2001: 1066 were randomized (1:1) to doxorubicin with or without dexrazoxane, and 242 (from P9754) were nonrandomly assigned to receive dexrazoxane. Trial data were linked with the National Death Index, the Organ Procurement and Transplantation Network, the Pediatric Health Information System (PHIS), and Medicaid. Osteosarcoma survivors from the Childhood Cancer Survivor Study (CCSS; n = 495; no dexrazoxane) served as comparators in subanalyses. Follow‐up events were assessed with cumulative incidence, Cox regression, and Fine‐Gray methods.ResultsIn randomized trials (cumulative prescribed doxorubicin dose, 100‐360 mg/m2; median follow‐up, 18.6 years), dexrazoxane was not associated with relapse (hazard ratio [HR], 0.84; 95% confidence interval [CI], 0.63‐1.13), second cancers (HR, 1.19; 95% CI, 0.62‐2.30), all‐cause mortality (HR, 1.07; 95% CI, 0.78‐1.47), or cardiovascular mortality (HR, 1.45; 95% CI, 0.41‐5.16). Among P9754 patients (all exposed to dexrazoxane; cumulative doxorubicin, 450‐600 mg/m2; median follow‐up, 16.6‐18.4 years), no cardiovascular deaths or heart transplantation occurred. The 20‐year heart transplantation rate among CCSS osteosarcoma survivors (mean doxorubicin, 377 ± 145 mg/m2) was 1.6% (vs 0% in P9754; P = .13). Among randomized patients, serious cardiovascular outcomes (cardiomyopathy, ischemic heart disease, and stroke) ascertained by PHIS/Medicaid occurred less commonly with dexrazoxane (5.6%) than without it (17.6%; P = .02), although cardiomyopathy rates alone did not differ (4.4% vs 8.1%; P = .35).ConclusionsDexrazoxane did not appear to adversely affect long‐term mortality, event‐free survival, or second cancer risk.
NTRK‐rearranged papillary thyroid carcinoma demonstrates frequent subtle nuclear features and indeterminate cytologic diagnoses
Authors: Lee Yu‐Cheng , Hsu Chih‐Yi , Lai Chiung‐Ru , Hang Jen‐Fan 
Published: October 2021

BackgroundThe studies on the cytomorphologic features of NTRK‐rearranged papillary thyroid carcinoma (PTC) are limited and some reported characteristics, such as frequent indeterminate diagnoses and presence of fibrotic fragments, are inconsistent in literature.MethodsNTRK gene rearrangements were detected in thyroidectomy specimens of PTC by either fluorescence in situ hybridization or next‐generation sequencing. All the cytologic slides of NTRK‐rearranged PTC were reviewed to evaluate the cytomorphologic features. The preoperative cytologic diagnoses of NTRK‐rearranged PTC were compared with those of NTRK/BRAF wild‐type and BRAFV600E‐positive PTC.ResultsFourteen PTC cases were identified to harbor NTRK gene rearrangements. Most of them showed a mixed architectural pattern of cell fragments (n = 13, 92.9%) and microfollicles (n = 9, 64.3%) with relatively rare papillary structures (n = 4, 28.6%). Nuclear grooving was frequently present (n = 11, 78.6%) but was mostly subtle and limited. Seven cases (50.0%) showed rounded nuclei without discernible nuclear elongation, and only 3 (21.4%) cases presented with nuclear pseudoinclusions. Among these cases, 7 (50.0%) were diagnosed as The Bethesda System for Reporting Thyroid Cytopathology (TBS) category III, 2 (14.3%) were diagnosed as TBS IV, and 5 (35.7%) were diagnosed as TBS V. The rate of TBS III‐IV diagnoses for NTRK‐rearranged PTCs was significantly higher (64.3%) than that for the 25 consecutive NTRK/BRAF wild‐type PTCs (20.0%, P = .013) and the 70 consecutive BRAFV600E‐positive PTCs (7.1%, P < .001) as selected.ConclusionsNTRK‐rearranged PTC demonstrated intermediate nuclear features, such as subtle nuclear grooving, infrequent nuclear elongation, and rare pseudoinclusions, resulting in a significantly higher rate of TBS III‐IV diagnoses compared to PTC with other molecular alterations.
First‐Principles Calculations of Electronic Structure and Optical Properties of Si‐Doped and Vacancy β‐Ga2O3
Authors: Liu Jifei , Gao Shanshan , Li Weixue , Dai Jianfeng , Suo Zhongqiang , Suo Zhengting 
Published: October 2021

AbstractThe electronic structure and optical properties of Si‐doped β‐Ga2O3 with vacancy are studied using the generalized gradient approximation plus the Hubbard term. The results show that the most easily formed are doping systems, followed by the doped with vacancy systems, and the vacancy systems. The conductivity of β‐Ga2O3 is enhanced significantly after being doped with Si, but its absorptivity decreased. The defect levels generated by the vacancy system can enhance the light absorption capability, especially O vacancy system. The doped with vacancy system may improve the conductivity and absorptivity in the visible range of the β‐Ga2O3.
Visualization of Solid‐State Synthesis for Chalcogenide Na Superionic Conductors by in‐situ Neutron Diffraction
Authors: Halacoglu Selim , Chertmanova Sabina , Chen Yan , Li Yang , Rajapakse Manthila , Sumanasekera Gamini , Narayanan Badri , Wang Hui 
Published: October 2021

AbstractChalcogenide superionic sodium (Na) conductors have great potential as solid electrolytes (SEs) in all‐solid‐state Na batteries with advantages of high energy density, safety, and cost effectiveness. The crystal structures and ionically conductive properties of solid Na‐ion conductors are strongly influenced by synthetic approaches and processing parameters. Thus, understanding the synthesis process is essential to control the structures and phases and to obtain Na‐ion conductors with desirable properties. Thanks to the high‐flux and deep‐penetrating time‐of‐flight neutron diffraction (ND), in‐situ experiments were able to track real‐time structural changes of two chalcogenide SEs (Na3SbS4 and Na3SbS3.5Se0.5) during the solid‐state synthesis. For these two conductors, the ND results revealed a fast one‐step reaction for the synthesis and the molten process when heating up, and the recrystallization as well as the cubic‐to‐tetragonal phase transition up on cooling. Moreover, Se‐doping was found to influence the reaction temperatures, lattice parameter, and structure stability based on neutron experimental observations and theoretical simulation. This work presents a detailed structural study using in‐situ ND technology for the solid synthesis process of chalcogenide Na‐ion conductors, beneficial for the design and synthesis of new solid‐state conductors.
Promoting Electrocatalytic Oxygen Evolution of Ultrasmall NiFe (Hydr)oxide Nanoparticles by Graphene‐Support Effects
Authors: Liu Shuang , Cao Erping , Chen Zhimin , Wu Hao , Liu Bowen , Yang Jing , Du Shichao , Ren Zhiyu 
Published: October 2021

AbstractAlthough the activity of electrocatalysts towards oxygen evolution reaction (OER) has achieved considerable improvement by modulating the intrinsic electron structure, the role of supports to OER performance, often being reduced to enhancing the conductivity, is not fully explored. In this paper, a proof‐of‐concept study based on a series of hybrids of nickel iron (hydr)oxide nanoparticles (NiFeO NPs) and carbon supports with different oxidation level compared the motivation of supports for OER activity. The key to implementation lay in anchoring and growing of NiFeO NPs on the various carbon supports by electrostatic assembly and subsequent in‐situ reduction. A series of experiments indicated that the strong coupling of metal ions and graphene oxide (GO) contributed to the formation of ultrasmall NiFeO NPs (≈2 nm) and the firm interaction between NiFeO NPs and GO, which in turn resulted in exposing more metal atoms, modulating local electron structure of active sites, and accelerating the charge‐transfer ability. The OER activity of optimal NiFeO NPs anchored on rGO (NiFeO NPs/rGO) was significantly elevated, achieving an overpotential as small as 201 mV at 10 mA cm−2 and a low Tafel slope of 68 mV dec−1, as well as remarkable stability. Such exciting capacity for catalyzing OER prevailed over the vast majority of previously reported transition‐metal electrocatalysts, even superior to numerous noble metal‐containing catalysts. The electrolyzer employing NiFeO NPs/rGO and commercial Pt/C for anode and cathode could be powered by a solar cell for efficient alkaline seawater splitting. This work opens up a universal and scalable way for further advancing the intrinsic activity of energy‐related materials.
A greener future for the Galapagos: forecasting ecosystem productivity by finding climate analogs in time
Authors: Charney Noah D. , Bastille‐Rousseau Guillaume , Yackulic Charles B. , Blake Stephen , Gibbs James P. 
Published: October 2021

AbstractForecasting ecosystem response to climate change is critical for guiding policymaking but challenging due to: complicated relationships between microclimates and regional climates; species’ responses that are driven by extremes rather than averages; the multifaceted nature of species’ interactions; and the lack of historical analogs to future climates. Given these challenges, even model systems such as the Galapagos Islands, a world‐famous biodiversity hotspot and World Heritage Site, lack clear forecasts for future environmental change. Here, we developed a novel nonparametric method for simulating the ecosystem futures based on observed vegetation productivity (NDVI) during analogous weather observed historically. Using satellite images taken from the past to piece together a simulated future, we projected that productivity of terrestrial vegetation of the Galapagos will increase over the next century by approximately one standard deviation archipelago‐wide, with largest increases during the wet season (January to June) and in the arid zones. Such greening would impact a variety of ecological and evolutionary processes, species of conservation concern, and agricultural practices. Our straightforward approach can be applied to many other regions, particularly those with rapid ecosystem responses to stochastic inter‐annual climatic fluctuations that provide appropriate climate analogs for forecasting.
Sun bears use 14‐year‐old previously logged forest more than primary forest in Sabah, Malaysia
Authors: Hwang Mei‐Hsiu , Ditmer Mark A. , Teo Shu‐De , Wong Siew Te , Garshelis David L. 
Published: October 2021

AbstractSun bears (Helarctos malayanus), arguably the least‐known bear species, are endemic to Southeast Asia and are believed to be in rapid decline due to forest loss and poaching, which are severe threats across this region. It has been asserted that, unlike other forest‐dependent, omnivorous bears, sun bears are especially sensitive to changes in forest composition and canopy closure because they often feed on fruits in the canopy. We investigated habitat use of sun bears in a region of Sabah, Malaysian Borneo, containing primary forest adjacent to a 14‐yr‐old selectively logged forest. We used strip transects to quantify trees that sun bears climbed to forage or rest; these were easily recognized by distinctive claw marks. We found 1.8× the density of bear‐climbed trees in the logged vs. the primary forest. Dead wood, a home for various insects eaten by sun bears, was more common in logged forests. Except during masting years, when fruits are exceptionally abundant in this area, sun bears commonly consume termites and bees, both of which were more common in the logged forest and had a positive effect on sun bear presence. Sun bear presence was also positively associated with canopy closure, which on average was higher in primary forest, but some portions of logged forest had very high canopy cover. The logged forest had higher vegetative greenness, which up to a point was attractive to bears, but very high greenness, likely indicative of thick underbrush, appeared to be less attractive. These results indicate that previously logged areas can be valuable habitats for sun bears, providing rich supplies of food––both fruits and insects. A number of recent biodiversity surveys using camera traps have also shown high use of logged areas by sun bears, but here we connected this use to food resources. Conservation of this species is better served by appreciating its omnivorous diet and adaptiveness to varying habitats and thus recognizing the importance of preventing logged areas from deteriorating into agriculture. We warn against focusing only on saving primary forests, and predicting declines of this species from forest cutting, without considering forest regeneration.
Organic‐Inorganic Hybrid Crystal [1‐methylpiperidinium]2[ZnCl4] with High Tc Phase Transition and Dielectric Switches
Authors: Chen Ming , Su Chang‐Yuan , Zhang Wan‐Ying , Wang Wei‐Yi , Huang Pei‐Zhi , Zhang Yi , Fu Da‐Wei 
Published: October 2021

AbstractThe hybrid switchable materials induced by dielectric phase transition are always an important scientific topic for their potential applications in the flexible sensor and devices. And the organic cations and anions can interact effectively, which is conducive to the functional development in the organic‐inorganic hybrid crystal state. In which, the flexible organic cations are more likely to undergo dynamic motion such as order‐disorder transformation and reorientation under temperature stimulation. Here, we chose 1‐methylpiperidinium as flexible organic cation, and then successfully designed a new organic‐inorganic hybrid crystal [1‐methylpiperidinium]2[ZnCl4] (compound 1), which displays a phase‐transition packing structure. It′s worth pointing out that compound 1 undergoes a reversible phase transition at 393.8 K accompanied with a conspicuous dielectric response. The dielectric constant can switch rapidly and reversibly between high and low dielectric states with excellent cycle stability. We believe that the report of compound 1 is conducive to the design of new series of switching materials.