bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ion mobility‐resolved phosphoproteomics with dia‐PASEF and short gradients
Authors: Oliinyk Denys , Meier Florian 
Published: October 2022

AbstractMass spectrometry‐based phosphoproteomics has identified >150,000 post‐translational phosphorylation sites in the human proteome. To disentangle their functional relevance, complex experimental designs that require increased throughput are now coming into focus. Here, we apply dia‐PASEF on a trapped ion mobility (TIMS) mass spectrometer to analyze the phosphoproteome of a human cancer cell line in short liquid chromatography gradients. At low sample amounts equivalent to ∼20 ug protein digest per analysis, we quantified over 13,000 phosphopeptides including ∼8700 class I phosphosites in 1 h without a spectral library. Decreasing the gradient time to 15 min yielded virtually identical coverage of the phosphoproteome, and with 7 min gradients we still quantified about 80% of the class I sites with a median coefficient of variation <10% in quadruplicates. We attribute this in part to the increased peak capacity, which effectively compensates for the higher peptide density per time unit in shorter gradients. Our data show a five‐fold reduction in the number of co‐isolated peptides with TIMS. In the most extreme case, these were positional isomers of nearby phosphosites that remained unresolved with fast liquid chromatography. In summary, our study demonstrates how key features of dia‐PASEF translate to phosphoproteomics.
Understanding the origin of reactivity, mechanism and regioselectivity of the [3+2] cycloaddition reaction between nitrile imine and pyrrolopyrazine
Authors: Hamdaoui Houda , Khorief Nacereddine Abdelmalek , Djerourou Abdelhafid 
Published: October 2022

AbstractIn this work, we have performed a computational study on the [3+2] cycloaddition (32CA) reaction between nitrile imine and pyrrolopyrazine within molecular electron density theory (MEDT) using B3LYP and M06‐2X DFT functionnals together with 6‐31G(d,p) basis set. This study shows that the popular B3LYP is the appropriate functional for performing this study. The analysis of energy profiles indicates that this 32CA reaction favours kinetically the formation of a single product as observed experimentally. The favour cycloadduct (P1) is formed through a moderate polar stepwise mechanism, in which the first step is the determining one that is characterised by a moderate polarity and the second step by a highly polar character, while the unfavoured one is formed via a nonpolar one‐step asynchronous mechanism. Solvent effects do not change the regioselectivity, but it increases the activation energies. Thermodynamic parameters analysis indicates that this 32CA reaction is characterised by an exothermic and endergonic characters favouring the formation of cycloadduct (P1), as observed experimentally. Conceptual DFT (CDFT) reactivity indices analysis shows that pyrrolopyrazine 2 reacts as a nucleophile, while nitrile imine 3 as an electrophile. Local reactivity descriptors, such as Parr functions and dual descriptors, show that this 32CA reaction is regioselective leading to the formation of P1. Analysis of ELF electron density demonstrated that the interaction between the high electron density reactive centre with that of low electron density leads to the formation of P1 cycloadduct. The obtained results using MEDT method are in great agreement with what observed in the experimental data.
Depression in Ugandan caregivers of cancer patients: The role of coping strategies and social support
Authors: Nuwamanya Simpson , Nkola Rahel , Najjuka Sarah Maria , Nabulo Harriet , Al‐Mamun Firoj , Mamun Mohammed A. , Kaggwa Mark Mohan 
Published: October 2022

AbstractBackgroundPalliative care services involve the psychological care of the caregivers of cancer patients. Psychological conditions, especially depression among caregivers, distort caregiving roles; thus, it can increase a patient's psychological suffering.ObjectiveTo determine the prevalence of depression and associated coping strategies among caregivers of cancer patients at a rural cancer care facility.MethodsThis cross‐sectional study was among 366 caregivers of cancer patients. The data was collected using a pretested questionnaire, where the symptoms of depression were assessed using the Patient Health Questionnaire‐9 at a cutoff of 10 out of 27. The coping strategies were assessed based on the Brief‐coping orientation to problems experienced Inventory. Logistic regression was used to determine the factors associated with depression.ResultsThe mean age of the participants was 39.01 (±11.50) years; most were females (60.38%). The prevalence of depression was 8.2%. The identified factors associated with increased likelihood of depression were coping strategies: active coping (aOR = 1.55, 95% Confidence Interval (CI) = 1.05–2.28, p = 0.026), denial (aOR = 1.62, 95% CI = 1.20–2.19, p = 0.001), and humor (aOR = 1.43, 95% CI = 1.11–1.84, p = 0.005). However, coping with positive reframing reduced the likelihood of depression (aOR = 0.70, 95% CI = 0.52–0.94, p = 0.019). There was no significant association between depression and social support.ConclusionThe lower prevalence of depression reported in this study than in the prior Ugandan studies reflects that depression severity among caregivers in rural settings is less prevalent because of the fewer care‐associated burdens they experience. Therefore, establishing palliative care near the patients can be a protective factor for caregivers' depression. In addition, the role of social support and coping strategies in depression might be helpful in mental health strategies.
Prospects for monitoring bird migration along the East Asian‐Australasian Flyway using weather radar
Authors: Shi Xu , Hu Cheng , Soderholm Joshua , Chapman Jason , Mao Huafeng , Cui Kai , Ma Zhijun , Wu Dongli , Fuller Richard A. 
Published: October 2022

AbstractEach year, billions of birds migrate across the globe, and interpretation of weather radar signals is increasingly being used to document the spatial and temporal migration patterns in Europe and America. Such approaches are yet to be applied in the East Asian‐Australasian Flyway (EAAF), one of the most species‐rich and threatened flyways in the world. Logistical challenges limit direct on‐ground monitoring of migratory birds in many parts of the EAAF, resulting in knowledge gaps on population status and site use that limit evidence‐based conservation planning. Weather radar data have great potential for achieving comprehensive migratory bird monitoring along the EAAF. In this study, we discuss the feasibility and challenges of using weather radar to complement on‐ground bird migration surveys in the flyway. We summarize the location, capacity and data availability of weather radars across EAAF countries, as well as the spatial coverage of the radars with respect to migrants' geographic distribution and migration hotspots along the flyway, with an exemplar analysis of biological movement patterns extracted from Chinese weather radars. There are more than 430 weather radars in EAAF countries, covering on average half of bird species' passage and non‐breeding distributions, as well as 70% of internationally important sites for migratory shorebirds. We conclude that the weather radar network could be a powerful resource for monitoring bird movements over the full annual cycle throughout much of the EAAF, providing estimates of migration traffic rates, site use, and long‐term population trends, especially in remote and less‐surveyed regions. Analyses of weather radar data would complement existing ornithological surveys and help understand the past and present status of the avian community in a highly threatened flyway.
Three Birds with One Stone: Acceptor Engineering of Hemicyanine Dye with NIR‐II Emission for Synergistic Photodynamic and Photothermal Anticancer Therapy
Authors: Cao Wenwen , Zhu Yu , Wu Fapu , Tian Yang , Chen Zhaoming , Xu Weijia , Liu Senyao , Liu Tingting , Xiong Hu 
Published: October 2022

AbstractIt is challenging to develop a near‐infrared (NIR) small molecular photosensitizer for synergistic phototherapy in deep tissues. Herein, first, a heavy‐atom‐free NIR hemicyanine photosensitizer (BHcy) for 808 nm light‐mediated synergistic photodynamic therapy/photothermal therapy (PDT/PTT) anticancer therapy by leveraging the acceptor engineering strategy is reported. This strategy endows BHcy with a more planar and larger π‐conjugated structure, resulting in long NIR absorption/emission at 770/915–1200 nm as well as enhanced singlet oxygen (1O2) generation ability and photothermal effect, which is ascribed to the reduced energy levels of excited singlet/triplet states and the promoted intersystem crossing process. Notably, BHcy‐based nanoparticles (BHcy‐NPs) exhibit efficient 1O2 yield (12.9%) and high photothermal conversion efficiency (55.1%). More importantly, BHcy‐NPs are able to significantly kill cancer cells by destroying main organelles and inhibit tumor growth in vivo after a single irradiation. Overall, this study provides a strategy to design new heavy‐atom‐free PDT/PTT agents for potential clinical applications.
Chelate Coordination Strengthens Surface Termination to Attain High‐Efficiency Perovskite Solar Cells
Authors: Liu Jiali , Yang Tengteng , Xu Zhuo , Zhao Wangen , Yang Yan , Fang Yuankun , Zhang Lu , Zhang Jingru , Yuan Ningyi , Ding Jianning , Liu Shengzhong (Frank) 
Published: October 2022

AbstractSolar cell efficiency and stability are two key metrics to determine whether a photovoltaic device is viable for commercial applications. The surface termination of the perovskite layer plays a pivotal role in not only the photoelectric conversion efficiency (PCE) but also the stability of assembled perovskite solar cells (PSCs). Herein, a strong chelate coordination bond is designed to terminate the surface of the perovskite absorber layer. On the one hand, the ligand anions bind with Pb cations via a bidentate chelating bond to restrict the ion migration, and the chelate surface termination changes the surface from hydrophilic to hydrophobic. Both are beneficial to improving the long‐term stability. On the other hand, the formation of the chelating bonding effectively eliminates the deep‐level defects including PbI and Pb clusters on the Pb‐I and FA‐I terminations, respectively, as confirmed by theoretical simulation and experimental results. Consequently, the PCE is increased to 24.52%, open circuit voltage to 1.19 V, and fill factor to 81.53%; all three are among the highest for hybrid perovskite cells. The present strategy provides a straightforward means to enhance both the PCE and long‐term stability of PSCs.
The WRITE Principles for Developing a Research‐to‐Practice Cycle Professional Development
Authors: Hodges Tracey S. 
Published: October 2022

AbstractWriting can be challenging to implement in upper elementary classrooms because teachers report needing additional support and students may struggle to meet the academic and developmental demands of emerging adolescence. This was true of one diverse, high‐need, under‐resourced school that had ambitious writing instruction goals. To meet these goals, the school and I partnered to develop and implement the WRITE principles, a model of professional development based on a research‐to‐practice cycle. The specific procedures for ongoing professional development, principles that guided and informed decision‐making within the model, and experiences of the learning leader and teachers are detailed so that others can apply similar processes that meet their school‐wide needs. The WRITE principles focus on (W) writing instruction, strategies, standards, and assessment; (R) resources; (I) identity; (T) trust; and (E) efficacy and were applied within a multi‐year research‐to‐practice partnership cycle.
Nanotherapy based on magneto‐mechanochemical modulation of tumor redox state
Authors: Orel Valerii B. , Papazoglou Αndreas S. , Tsagkaris Christos , Moysidis Dimitrios V. , Papadakos Stavros , Galkin Olexander Yu. , Orel Valerii E. , Syvak Liubov A. 
Published: October 2022

AbstractMagnetic nanoparticles (MNs) are typically used as contrast agents for magnetic resonance imaging or as drug carriers with a remotely controlled delivery to the tumor. However, they can also potentiate the action of anticancer drugs under the influence of applied constant magnetic (CMFs) and electromagnetic fields (EMFs). This review demonstrates the role of magneto‐mechanochemical effects produced by MNs alone and loaded with anticancer agents (MNCs) in response to CMFs and EMFs for modulation of tumor redox state. The combined treatment is suggested to act by two mechanisms: spin‐dependent electron transport propagates free radical chain reactions, while magnetomechanical interactions cause conformational changes in drug molecules loaded onto MNs and generate reactive oxygen species (ROS). By adjusting the parameters of CMFs and EMFs during the magneto‐mechanochemical synthesis and subsequent treatment, it is possible to modulate ROS production and switch redox signaling involved in ERK1/2 and NF‐κB pathways from initiation of tumor growth to inhibition. Observations of tumor volume in different animal models and treatment combinations reported a 6%–70% reduction as compared with conventional drugs. Despite these results, there is a general lack of research in magnetic nanotheranostics that link redox changes across multiple levels of organization in the tumor‐bearing host. Further multidisciplinary studies with more focus on the relationship between the electron transport processes in biomolecules and their effects on the tumor‐host interaction should accelerate the clinical translation of magnetic nanotheranostics.This article is categorized under:
Therapeutic Approaches and Drug Discovery > Nanomedicine for Oncologic Disease
Therapeutic Approaches and Drug Discovery > Emerging Technologies
Nanotechnology Approaches to Biology > Nanoscale Systems in Biology
Application of the Total Variation Method in Near Real-Time GNSS Tropospheric Tomography
Authors: Adavi Zohreh , Weber Robert 
Published: October 2022

Abstract
GNSS tomography is an all-weather remote sensing technique to capture the spatiotemporal behavior of the atmospheric water vapor using the standing infrastructure of GNSS satellites and networks. In this method, the troposphere is discretized to a finite number of 3D elements (voxel) in horizontal and vertical directions. Then, the wet refractivity in these voxels is reconstructed using the Slant Wet Delay (SWD) observations in the desired tomography domain by means of the discrete inverse concept. Due to the insufficient spatial coverage of GNSS signals in the voxels within the given time window, some of the voxels are intersected by a few signals or plenty of signals, and others are not passed by any signals at all. Therefore, the design matrix is sparse, and the observation equation system of the tomography model is mixed-determined. Some constraints have to be applied or external data sources should be added to the tomography problem in order to reconstruct the wet refractivity field. Moreover, the GNSS tomography is a kind of discrete ill-posed problem, as all singular values of the structure matrix (A) in the tomography problem decay gradually to zero without any noticeable gap in the spectrum. Hence, slight changes in the measurements can lead to extremely unstable parameter solutions. In consequence, the regularization method should be applied to the inversion process and ensure a stable and unique solution for the tomography problem. In this research, the Total Variation (TV) method is suggested to retrieve a regularized solution. TV is a nonlinear technique, which resists noise and efficiently preserves discontinuities in the model. This method can also reconstruct the wet refractivity field without any initial field in a shorter time span. For this purpose, observation data from the EPOSA (Echtzeit Positionierung Austria) GNSS network located in the eastern part of Austria is processed within the period DoYs 232-245 in 2019. Then, the TV method is performed in six different tomography windows (10–60 min) with a time step of 10 min by focusing on near-real-time applications. Finally, radiosonde measurements in the area of interest are utilized to compare the estimated wet refractivity field in order to obtain the accuracy of the proposed method.
On the Improvement of Combined EOP Series by Adding 24-h VLBI Sessions to VLBI Intensives and GNSS Data
Authors: Lengert Lisa , Thaller Daniela , Flohrer Claudia , Hellmers Hendrik , Girdiuk Anastasiia 
Published: October 2022

Abstract
The publicly available Earth Orientation Parameter (EOP) time series provided by the Earth Orientation Centre of the IERS (e.g., IERS Bulletin A, IERS 14 C04) result from the combination of individual space-geodetic solutions on a daily basis, i.e., a parameter-level combination. Current activities of the Federal Agency for Cartography and Geodesy (BKG) focus on the development of a combination strategy, the main objective of which is to improve the consistency between the space-geodetic techniques through common parameters, i.e., mainly EOP, but also station coordinates and tropospheric parameters using local ties and atmospheric ties, respectively. In this study, we present our combination strategy and the results of the combination of VLBI data available within approximately two weeks (i.e., Intensive and R1/R4 sessions) with data from the global GNSS network. The combination is done at the normal equation (NEQ) level on a daily and multi-day basis. We compare our EOP solutions with the respective daily and multi-day single-technique EOP solutions as well as with the low-latency inter-technique EOP time series (COMBI RAP) examined in previous studies, which is based on the combination of GNSS and VLBI Intensive data only. We found regarding the dUT1 solution, that the addition of the VLBI R1/R4 sessions to the VLBI Intensives and GNSS data has a positive impact on the entire 7-day solution, and especially stabilizes the dUT1 estimates of the boundary days of the multi-day continuous polygon. The dUT1 estimates of the left and right boundary day compared to IERS Bulletin A and COMBI RAP reveal an improvement in terms of WRMS of the residuals by 2.3 μs and 1.4 μs, respectively. For the pole coordinates, the consistency of the estimates with external reference series is almost at the same level as for the COMBI RAP solution.
Sprachverstehen im Störschall – Überlegungen zur ökologisch validen Bewertung der Kommunikationsfähigkeit mit Cochleaimplantat
Authors: Hey Matthias , Mewes Alexander , Hocke Thomas 
Published: October 2022

Zusammenfassung
Hintergrund
Heutzutage zeigen Patienten mit einem Cochleaimplantat (CI) meistens ein gutes bis sehr gutes Verstehen in Ruhe, berichten jedoch immer wieder über Probleme bei der Kommunikation in alltäglichen Nebengeräuschen. Um die akustische Komplexität dieser realen Hörsituationen bei der apparativen Versorgung von schwerhörigen Patienten zu berücksichtigen, besteht ein Bedarf an ökologisch validen Messungen des Sprachverstehens. Der damit verbundene methodische Mehraufwand muss mit personellen und räumlichen klinischen Ressourcen in Übereinstimmung gebracht werden. In der vorliegenden Studie werden mögliche Vereinfachungen einer komplexen Messanordnung untersucht.

Methode
In die Studie wurden 20 Erwachsene aus der Langzeitnachsorge nach CI-Versorgung mit postlingualem Beginn der Hörstörung eingeschlossen. Die Komplexität der untersuchten Hörsituation wurde durch Veränderung der Räumlichkeit der Störschallquellen und durch den zeitlichen Charakter des Störschalls beeinflusst. Die verschiedenen Messanordnungen wurden mithilfe von unilateral gemessenen Sprachverständlichkeitsschwellen („speech reception thresholds“, SRT) verglichen, wobei verschiedene CI-Prozessoren und Einstellungen zum Einsatz kamen. Als Referenz dienten 10 normalhörende Probanden.

Ergebnisse
In einer komplexen Hörsituation mit 4 Lautsprechern und fluktuierendem Störschall zeigten sich in den SRT Unterschiede zwischen CI-Trägern und der Kontrollgruppe von bis zu 8 dB. Für die CI-Träger korrelierten diese SRT mit der Situation mit frontalem Sprachsignal und fluktuierendem Störsignal von der Seite mit R2 = 0,69. Für Konditionen mit stationärem Störsignal fanden sich R2 < 0,2.

Schlussfolgerungen
Bei der Räumlichkeit und dem zeitlichen Charakter von Störquellen gibt es keine universelle Lösung für alle audiometrischen Fragestellungen. Im hier beschriebenen Kontext ist eine Vereinfachung der komplexen räumlichen audiometrischen Anordnung mit Beibehaltung des fluktuierenden Störsignals möglich.
Safety and efficacy of daratumumab in Chinese patients with relapsed or refractory multiple myeloma: a phase 1, dose-escalation study (MMY1003)
Authors: Jing Hongmei , Yang Li , Qi Junyuan , Qiu Lugui , Fu Chengcheng , Li Junmin , Yang Min , Qi Ming , Fan Ni , Ji Jia , Lu Jiajia , Li Yunan , Jin Jie 
Published: October 2022

Abstract
Daratumumab monotherapy demonstrated favorable safety and efficacy in relapsed/refractory multiple myeloma (RRMM) patients in the global phase 1/2 GEN501 and phase 2 SIRIUS studies. MMY1003 evaluated daratumumab monotherapy specifically in Chinese patients with RRMM. This 3-part, open-label, phase 1, dose-escalation study included patients with ≥ 2 prior lines of therapy. Part 3 included patients who had received a proteasome inhibitor (PI) and immunomodulatory drug (IMiD) and experienced disease progression on their last regimen. Patients received intravenous daratumumab 8 mg/kg or 16 mg/kg in part 1 and 16 mg/kg in parts 2 + 3. Primary endpoints were dose-limiting toxicity (DLT; part 1), pharmacokinetics (parts 1 + 2), and adverse events (AEs). Fifty patients enrolled. The first 3 patients in part 1 received daratumumab 8 mg/kg; remaining patients in parts 1–3 received daratumumab 16 mg/kg. In the daratumumab 16 mg/kg group (n = 47), patients received a median of 4 prior lines of therapy; 32% were refractory to a PI and IMiD, and 79% were refractory to their last prior therapy. No DLTs occurred. Thirty-six (77%) patients reported grade 3/4 treatment-emergent AEs. Thirteen (28%) patients experienced infusion-related reactions. At an 18.5-month median follow-up, overall response rate was 43%. Median progression-free survival (PFS) and overall survival (OS) were 6.7 months and not reached, respectively; 12-month PFS and OS rates were 35% and 70%. Pharmacokinetic results (n = 22) were consistent with other studies. Safety, pharmacokinetics, and efficacy of daratumumab monotherapy were confirmed in Chinese patients with RRMM. This trial is registered on ClinicalTrials.gov (NCT02852837).