bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of Heteroatom Substitution on Dual‐State Emissive Rigidified 2‐(2’‐hydroxyphenyl)benzazole Dyes: Towards Ultra‐Bright ESIPT Fluorophores**
Authors: Pariat Thibault , Munch Maxime , Durko‐Maciag Martyna , Mysliwiec Jaroslaw , Retailleau Pascal , Vérité Pauline M. , Jacquemin Denis , Massue Julien , Ulrich Gilles 
Published: November 2020

Abstract2‐(2’‐Hydroxyphenyl)benzazole (HBX) fluorophores are well‐known excited‐state intramolecular proton transfer (ESIPT) emitters largely studied for their synthetic versatility, photostability, strong solid‐state fluorescence and ability to engineer dual emission, thus paving the way to applications as white emitters, ratiometric sensors, and cryptographic dyes. However, they are heavily quenched in solution, due to efficient non‐radiative pathways taking place as a consequence of the proton transfer in the excited‐state. In this contribution, the nature of the heteroring constitutive of these rigidified HBX dyes was modified and we demonstrate that this simple structural modification triggers major optical changes in terms of emission color, dual emission engineering, and importantly, fluorescent quantum yield. Investigation of the photophysical properties in solution and in the solid state of a series of ethynyl‐TIPS extended HBX fluorophores, along with ab initio calculations demonstrate the very promising abilities of these dyes to act as bright dual‐state emitters, in both solution (even in protic environments) and solid state.
Rare‐Earth Metal Tetrathiafulvalene Carboxylate Frameworks as Redox‐Switchable Single‐Molecule Magnets
Authors: Su Jian , Yuan Shuai , Li Jing , Wang Hai‐Ying , Ge Jing‐Yuan , Drake Hannah F. , Leong Chanel F. , Yu Fei , D'Alessandro Deanna M. , Kurmoo Mohamedally , Zuo Jing‐Lin , Zhou Hong‐Cai 
Published: November 2020

AbstractUsing the redox‐active tetrathiafulvalene tetrabenzoate (TTFTB4−) as the linker, a series of stable and porous rare‐earth metal–organic frameworks (RE‐MOFs), [RE9(μ3‐OH)13(μ3‐O)(H2O)9(TTFTB)3] (1‐RE, where RE=Y, Sm, Gd, Tb, Dy, Ho, and Er) were constructed. The RE9(μ3‐OH)13(μ3‐O) (H2O)9](CO2)12 clusters within 1‐RE act as segregated single‐molecule magnets (SMMs) displaying slow relaxation. Interestingly, upon oxidation by I2, the S=0 TTFTB4− linkers of 1‐RE were converted into S=
TTFTB.3− radical linkers which introduced exchange‐coupling between SMMs and modulated the relaxation. Furthermore, the SMM property can be restored by reduction in N,N‐dimethylformamide. These results highlight the advantage of MOFs in the construction of redox‐switchable SMMs.
Long‐term outcomes of pexidartinib in tenosynovial giant cell tumors
Authors: Gelderblom Hans , Wagner Andrew J. , Tap William D. , Palmerini Emanuela , Wainberg Zev A. , Desai Jayesh , Healey John H. , van de Sande Michiel A. J. , Bernthal Nicholas M. , Staals Eric L. , Peterfy Charles G. , Frezza Anna Maria , Hsu Henry H. , Wang Qiang , Shuster Dale E. , Stacchiotti Silvia 
Published: November 2020

BackgroundThe objective of this study was to report on the long‐term effects of pexidartinib on tenosynovial giant cell tumor (TGCT).MethodsThis was a pooled analysis encompassing 3 pexidartinib‐treated TGCT cohorts: 1) a phase 1 extension study (NCT01004861; 1000 mg/d; n = 39), 2) ENLIVEN patients randomized to pexidartinib (1000 mg/d for 2 weeks and then 800 mg/d; n = 61), and 3) ENLIVEN crossover patients (NCT02371369; 800 mg/d; n = 30). Eligible patients were 18 years old or older and had a histologically confirmed TGCT that was unresectable and symptomatic. Efficacy endpoints included the best overall response (complete or partial response) and the duration of response (DOR) by the Response Evaluation Criteria in Solid Tumors (RECIST) and the tumor volume score (TVS). The safety assessment included the frequency of treatment‐emergent adverse events (TEAEs) and hepatic laboratory abnormalities (aminotransferase elevations and mixed/cholestatic hepatotoxicity). The data cutoff was May 31, 2019.ResultsOne hundred thirty patients with TGCT received pexidartinib (median treatment duration, 19 months; range, 1 to 76+ months); 54 (42%) remained on treatment at the end of the analysis (26 months after initial data cut of March 2017). The RECIST overall response rate (ORR) was 60%; the TVS ORR was 65%. The median times to response were 3.4 (RECIST) and 2.8 months (TVS), with 48 of the responding patients (62%) achieving a RECIST partial response by 6 months and with 72 (92%) doing so by 18 months. The median DOR was reached for TVS (46.8 months). Reported TEAEs were mostly low‐grade, with hair color changes being most frequent (75%). Most liver abnormalities (92%) were aminotransferase elevations; 4 patients (3%) experienced mixed/cholestatic hepatotoxicity (all within the first 2 months of treatment), which was reversible in all cases (recovery spanned 1‐7 months).ConclusionsThis study demonstrates the prolonged efficacy and tolerability of long‐term pexidartinib treatment for TGCT.
Vacancy assisted diffusion on single‐atom surface alloys
Authors: Mahlberg David , Groß Axel 
Published: November 2020

AbstractBimetallic surfaces can exhibit an improved catalytic activity through tailoring the concentration and/or the arrangement of the two metallic components. However, in order to be catalytically active, the active bimetallic surface structure has to be stable under operating conditions. Typically, structural changes in metals occur via vacancy diffusion. Based on the first‐principles determination of formation energies and diffusion barriers we have performed kinetic Monte‐Carlo (kMC) simulations to analyse the (meta‐)stability of PtRu/Ru(0001), AgPd/Pd(111), PtAu/Au(111) and InCu/Cu(100) surface alloys. In a first step, here we consider single‐atom alloys together with one vacancy per simulation cell. We will present results of the time evolution of these structures and analyse them in terms of the interaction between the constituents of the bimetallic surface.
Radical‐Enhanced Intersystem Crossing in a Bay‐Substituted Perylene Bisimide−TEMPO Dyad and the Electron Spin Polarization Dynamics upon Photoexcitation**
Authors: Zhang Xue , Sukhanov Andrey A. , Yildiz Elif Akhuseyin , Kandrashkin Yuri E. , Zhao Jianzhang , Yaglioglu Halime Gul , Voronkova Violeta K. 
Published: November 2020

AbstractA 4‐amino‐2,2,6,6‐tetramethyl‐1‐piperidinyloxyl (TEMPO) radical was attached to the bay position of perylene‐3,4 : 9,10‐bis(dicarboximide) (perylenebisimide, PBI) to study the radical‐enhanced intersystem crossing (REISC) and electron spin dynamics of the photo‐induced high‐spin states. The dyads give strong visible light absorption (ϵ=27000 M−1 cm−1at 607 nm). Attaching a TEMPO radical to the PBI unit transforms the otherwise non‐radiative decay of S1 state (fluorescence quantum yield: ΦF=2.9 %) of PBI unit to ISC (singlet oxygen quantum yield: ΦΔ=31.8 %, ΦF=1.6 %). Moreover, the REISC is more efficient as compared to the heavy atom effect‐induced ISC (ΦΔ=17.8 % for 1,8‐dibromoPBI). For the dyad, ISC takes 245 ps and triplet state lifetime is 1.5 μs, much shorter than the native PBI (τT=126.6 μs). X‐ and Q‐band time‐resolved electron paramagnetic resonance spectroscopy shows that the exchange interaction in the photoexcited radical‐chromophore dyad is larger than the triplet zero‐field splitting (ZFS) and the difference of Zeeman energies of the radical and chromophore. The inversion of electron spin polarization from emissive to absorptive was observed and attributed to the initial completion of the quartet state population and the subsequent depopulation processes induced by the zero‐field splitting.
Atomic‐Scale Edge Morphology, Stability, and Oxidation of Single‐Layer 2H‐TaS2
Authors: Martincová Jana , Otyepka Michal , Lazar Petr 
Published: November 2020

AbstractTantalum disulphide belongs to the group of transition metal dichalcogenides (TMDs) and has attracted attention for its unique structural, electronic, and catalytic properties. Herein, we report the edge properties of single‐layer 2H‐TaS2 studied by using density functional theory calculations, because the knowledge of the edge morphology, stability, and surface energy is essential for the determination of nanoparticle shapes and understanding the nature of catalytically active sites. We calculate the grand canonical potential of TaS2 clusters having various edge morphologies to evaluate the edge energies of the Ta‐edge and S‐edge terminated surfaces. Under S‐rich conditions, the most likely shape of TaS2 is a deformed hexagon dominated by the Ta‐edge covered by S monomers, while the triangular shape is preferred under S‐poor conditions. Exposed edges of the single‐layer TaS2 are susceptible to oxidation in air because both oxygen adsorption and substitution at the edge are strongly exothermic, −0.96 and −2.20 eV for single O atom, respectively. The XPS calculation shows that specific initial steps of oxidative process (adsorption, vacancy creation, substitution) are unlikely to be distinguished in the XPS spectra due to small shift of respective binding energies, but initial edge oxidation of TaS2 should be observable by an asymmetry of the Ta 4f doublet towards higher binding energies.
Critical Steps in Data Management During a Crisis
Authors: Black Michele , Moncada Karla , Herstad Kyle 
Published: November 2020

AbstractData management is essential in a flow cytometry (FCM) shared resource laboratory (SRL) for the integrity of collected data and its long‐term preservation, as described in the Cytometry publication from 2016, ISAC Flow Cytometry Shared Resource Laboratory (SRL) Best Practices (Barsky et al.: Cytometry Part A 89A(2016): 1017–1030). The SARS‐CoV‐2 pandemic introduced an array of challenges in the operation of SRLs. The subsequent laboratory shutdowns and access restrictions brought to the forefront well‐established practices that withstood the impact of a sudden change in operations and illuminated areas that need improvement. The most significant challenges from a data management perspective were data access for remote analysis and workstation management. Notably, lessons learned from this challenge emphasize the importance of safeguarding collected data from loss in various emergencies such as fire or natural disasters where the physical hardware storing data could be directly affected. Here, we describe two data management systems that have been successful during the current emergency created by the pandemic, specifically remote access and automated data transfer. We will discuss other situations that could arise and lead to data loss or challenges in interpreting data. © 2020 International Society for Advancement of Cytometry
Normal or reactive minor cell populations in bone marrow and peripheral blood mimic minimal residual leukemia by flow cytometry
Authors: Li Weijie , Morgan Ruth , Nieder Roxanne , Truong Sa , Habeebu Sahibu Sultan M. , Ahmed Atif A. 
Published: November 2020

AbstractBackgroundMeasurable residual disease (MRD) is a strong independent poor prognostic factor for acute leukemia. Multiparameter flow cytometry (FCM) is a commonly used MRD detection method. However, FCM MRD detection is not well standardized, and the interpretation is subjective. There are normal/reactive minor cell populations in bone marrow (BM) and peripheral blood (PB), which could be confused with MRD.MethodsThe FCM data of 231 BM and 44 PB pediatric samples performed in a recent 15‐month period were retrospectively reviewed. These samples were from 56 B‐lymphoblastic leukemia (B‐ALL) patients, 11 T‐lymphoblastic leukemia (T‐ALL) patients, 28 acute myeloid leukemia (AML)/myelodysplastic syndrome (MDS) patients, 44 cytopenia/leukocytosis patients, and five patients with mycosis fungoides.ResultsThere were over 10 normal or reactive minor cell populations identified with certain phenotypes mimicking MRD of acute leukemia. These mimickers included CD19+ NK cells, CD22+ basophils, CD22+ dendritic cells (DCs), and plasma cells for B‐ALL MRD; CD4/8 double‐negative T cells, CD4/8 double‐positive T cells, cytoplasmic CD3+ NK cells, CD2− T cells, CD7− T cells, CD5− gamma delta T cells, CD56+ NKT cells for T‐ALL MRD; CD33+ NK cells, CD117+ NK cells, basophils, plasmacytoid DCs, non‐classical monocytes, CD56+ and/or CD61+ monocytes for AML MRD.ConclusionsThese data confirm the presence of a variety of normal/reactive minor cell populations that could mimic MRD of acute leukemia by FCM. Recognizing these MRD mimickers is important for correct FCM MRD interpretation.
Experimentelle Ermittlung von Reibungsbeiwerten bei Steinstützkörpern aus Naturstein
Authors: Voit Klaus , Neyer Andreas , Schwenn Michael , Zeman Oliver 
Published: November 2020

AbstractBöschungs‐, Ufer‐ und Sohlsicherungen aus Naturstein erfreuen sich als naturnahe konstruktive Maßnahmen zunehmender Beliebtheit. Hinsichtlich ihrer Wirkungsweise können Steinkonstruktionen unterschieden werden in (1) solche mit stützender Wirkung, welche durch Schlichten oder Setzen errichtet werden, und in (2) Steinkörper und Berollungen, deren Herstellung durch Schütten oder Werfen erfolgt und die rein durch ein Beschweren der Böschung wirken. Bei Steinstützkörpern handelt es sich generell um vergleichsweise flexible Konstruktionen, die Verformungen im Dezimeterbereich aufnehmen können. Dabei erfolgt die Kraftübertragung im unvermörtelten Zustand von Stein zu Stein bzw. bei Versetzen der Steine im Mörtelbett über die Mörtelfuge. Durch die Reibung bzw. Reibungskraft zwischen den Steinen bzw. Mörtel und Stein können Schubkräfte übertragen bzw. aufgenommen werden, die bspw. einem auftretenden Erddruck entgegenwirken.Für Steinstützkörper gibt es bislang einige bestehende Ansätze für deren Bemessung, es wird jedoch nicht spezifisch auf den Nachweis der inneren Standsicherheit (Gleiten und Kippen in der Lagerfuge, mechanisches Steinversagen) eingegangen. Bei gegenständlichem Forschungsvorhaben wird versucht, Kennwerte für die Bemessung von Steinstützkörpern experimentell zu erfassen, um in einem nächsten Schritt Rückschlüsse auf die innere Standsicherheit von Steinstützkörpern ziehen zu können.
Achieving blood pressure targets and antihypertensive effects through metabolic surgery in type 2 diabetes patients with hypertension
Authors: Sun Fang , Zhou Xunmei , Li Qiang , Li Yingsha , Zhang Hexuan , Yan Zhencheng , He Hongbo , Zhao Zhigang , Ke Zhigang , Gao Yu , Li Fan , Tong Weidong , Zhu Zhiming 
Published: November 2020

Short SummaryThis was a prospective study of 535 diabetes patients who underwent metabolic surgery (n = 112) and medical treatment (n = 423). Metabolic surgery decreased both office systolic blood pressure (SBP) and diastolic blood pressure (DBP) and also significantly reduced ambulatory SBP (132 ± 2 vs. 119 ± 1 mmHg, p < 0.0001). Moreover, the rate of achieving the target SBP of 130 and 140 mmHg was also significantly higher in the surgery group. The defined daily dose of antihypertensive medication was significantly decreased in after surgery. Furthermore, metabolic surgery markedly improved the risks of atherosclerotic cardiovascular disease. In conclusion, metabolic surgery can effectively achieve the BP target and improve multiple metabolic dysfunction in type 2 diabetes mellitus patients with hypertension.
Detection of intact insulin analogues in post‐mortem vitreous humour—Application to forensic toxicology casework
Authors: Beckett Nicola , Tidy Rebecca , Douglas Bianca , Priddis Colin 
Published: November 2020

AbstractThe application of proteomic techniques to forensic science widens the range of analytical capabilities available to forensic laboratories when answering complex toxicology problems. Currently, these techniques are underutilised in post‐mortem toxicology because of the historic focus on smaller (<1,000 amu) drug molecules. Definitive confirmation of an insulin overdose by analysis of post‐mortem biological matrices is rare and challenging, however can assist coronial investigations pertaining to accidental or intentional overdoses in both diabetic and nondiabetic populations. A semiautomated micro‐solid phase extraction paired with mass spectrometry‐based insulin methodology was developed and validated for routine use in a Forensic Coronial Toxicology Laboratory. This resulting work reports the first Australian cases where synthetic insulins were confirmed by mass spectrometry in the vitreous humour of Type 1 diabetics who intentionally or accidentally overdosed on their prescription medication glargine and aspart. The detection of glargine M1 in Case 1, aspart in Case 2 and glargine M1 was indicated in Case 3. This paper highlights advancements in forensic coronial toxicology and the promising potential of proteomic analysis in a forensic context.
Activation of WNT signaling restores the facial deficits in a zebrafish with defects in cholesterol metabolism
Authors: Castro Victoria L. , Reyes‐Nava Nayeli G. , Sanchez Brianna B. , Gonzalez Cesar G. , Paz David , Quintana Anita M. 
Published: November 2020

SummaryInborn errors of cholesterol metabolism occur as a result of mutations in the cholesterol synthesis pathway (CSP). Although mutations in the CSP cause a multiple congenital anomaly syndrome, craniofacial abnormalities are a hallmark phenotype associated with these disorders. Previous studies have established that mutation of the zebrafish hmgcs1 gene (Vu57 allele), which encodes the first enzyme in the CSP, causes defects in craniofacial development and abnormal neural crest cell (NCC) differentiation. However, the molecular mechanisms by which the products of the CSP disrupt NCC differentiation are not completely known. Cholesterol is known to regulate the activity of WNT signaling, an established regulator of NCC differentiation. We hypothesized that defects in cholesterol synthesis are associated with reduced WNT signaling, consequently resulting in abnormal craniofacial development. To test our hypothesis we performed a combination of pharmaceutical inhibition, gene expression assays, and targeted rescue experiments to understand the function of the CSP and WNT signaling during craniofacial development. We demonstrate reduced expression of four canonical WNT downstream target genes in homozygous carriers of the Vu57 allele and reduced axin2 expression, a known WNT target gene, in larvae treated with Ro‐48‐8071, an inhibitor of cholesterol synthesis. Moreover, activation of WNT signaling via treatment with WNT agonist I completely restored the craniofacial defects present in a subset of animals carrying the Vu57 allele. Collectively, these data suggest interplay between the CSP and WNT signaling during craniofacial development.
Extraction modeling, kinetics, and thermodynamics of solvent extraction of Irvingia gabonensis kernel oil, for possible industrial application
Authors: Agu Chinedu Matthew , Menkiti Matthew Chukwudi , Ohale Paschal Enyinnaya , Ugonabo Victor Ifeanyi 
Published: November 2020

AbstractThe effects of the temperature, time, and particle size, in addition to the kinetics and thermodynamics parameters, of Irvingia gabonensis kernel oil (IGKO) yield were investigated. The highest oil yield of 68.80% (by weight) was obtained at 55°C, 150 minutes, and 0.5 mm. The evaluated physicochemical properties of IGKO indicated that viscosity, acidity, dielectric strength, flash, and pour points were 19.37 mm2 s−1, 5.18 mg KOH g−1, 25.83 kV, 285°C, and 17°C, respectively, suggesting its feasibility as transformer fluid upon further treatments. Between the pseudo‐second order and hyperbolic kinetic models studied, the former best describes the experimental data. ΔH, ΔS, and ΔG values of IGKO extraction at 0.5 mm and 328 K were, 251.81 kJ mol−1, 1.08 kJ mol−1, and −105.49 kJ mol−1, respectively, indicating the endothermic, irreversible, and spontaneous nature of the process. The kinetic model equations that describe the process were successfully developed for both models based on the process parameters.
Seismic constraints on rock damaging related to a failing mountain peak: the Hochvogel, Allgäu
Authors: Dietze M. , Krautblatter M. , Illien L. , Hovius N. 
Published: November 2020

AbstractLarge rock slope failures play a pivotal role in long‐term landscape evolution and are a major concern in land use planning and hazard aspects. While the failure phase and the time immediately prior to failure are increasingly well studied, the nature of the preparation phase remains enigmatic. This knowledge gap is due, to a large degree, to difficulties associated with instrumenting high mountain terrain and the local nature of classic monitoring methods, which does not allow integral observation of large rock volumes. Here, we analyse data from a small network of up to seven seismic sensors installed during July–October 2018 (with 43 days of data loss) at the summit of the Hochvogel, a 2592 m high Alpine peak. We develop proxy time series indicative of cyclic and progressive changes of the summit. Modal analysis, horizontal‐to‐vertical spectral ratio data and end‐member modelling analysis reveal diurnal cycles of increasing and decreasing coupling stiffness of a 260,000 m3 large, instable rock volume, due to thermal forcing. Relative seismic wave velocity changes also indicate diurnal accumulation and release of stress within the rock mass. At longer time scales, there is a systematic superimposed pattern of stress increased over multiple days and episodic stress release within a few days, expressed in an increased emission of short seismic pulses indicative of rock cracking. Our data provide essential first order information on the development of large‐scale slope instabilities towards catastrophic failure. © 2020 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd.
Multiple lines of chemotherapy for patients with high‐grade ovarian cancer: Predictors for response and effect on survival
Authors: Kessous Roy , Wissing Michel D. , Laskov Ido , Abitbol Jeremie , Bitharas Joanna , Agnihotram Venkata R. , Yasmeen Amber , Salvador Shannon , Lau Susie , Gotlieb Walter H. 
Published: November 2020

AbstractGuidelines for the treatment of tubo‐ovarian cancer patients beyond third line are lacking. We aimed to evaluate the effect of response in each line on patient's outcome as well as identify variables that predict response for additional line of chemotherapy. A cohort study was performed including all patients with advanced high‐grade ovarian cancer. Survival analysis was performed using Kaplan‐Meier curves and log‐rank tests. Odds ratios and hazard ratios were calculated using multilevel, mixed‐effects logistic regression and Cox regression, adjusting for repeated measures within individual patients. Two‐hundred thirty‐eight patients were included and underwent up to 10 lines of chemotherapy. The median progression‐free survival was 15.6 and overall survival (OS) was 55.6 months. Response rates dropped with each additional line and by line 5, most patients (61%) became refractory and only 16% had any type of response (complete 4% or partial 12%). By line 2, whether a patient had partial disease (PR), stable disease (SD) or progressive disease (PD) did not have an effect on the OS. From line 2, whether a patient had PR, SD or PD did not have an effect on chemotherapy‐free interval. Number of previous lines and time from previous line were the only variables that significantly correlated with both outcome of patients and response to the next line. In conclusion, time interval from the previous line of chemotherapy is the major clinical factor that predicts beneficial effect of another line of treatment in patients with ovarian cancer.