bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discrete simulation of regulatory homo- and heterodimerization
in the apoptosis effector phase
Authors: Siehs Christian , Oberbauer Rainer , Mayer Gert , Lukas Arno , Mayer Bernd 
Published: July 2002

Abstract
Motivation: Quantitative simulation of molecular reaction networks is among the most promising approaches towards an understanding of complex biochemical pathways. Numerous qualitative as well as quantitative data from diverse experimental settings, in particular from genomics and proteomics, have to be contextually linked to convert static data into dynamic functionality.
Results: This paper presents the Lattice Molecular Automaton, a Cellular Automaton-based simulation tool, capable of representing complex molecular dynamics at different levels of granularity. A data structure concept represents molecular units, whose dynamics, embedded on a 2D grid, is defined via detailed intermolecular interaction profiles. The data structures hold diverse information as molecular type, potential, as well as kinetic energy states, which allows a precise representation of intracellular reaction networks. The molecular dynamics is performed via local computation of individual molecular states on the lattice, which, in conjunction with discretized space and time, enables excellent scalability of this simulation concept. This paper finally gives Lattice Molecular Automaton simulation results on key elements of apoptosis, the cell death cascade, in particular focusing on the regulatory function of homo- and heterodimerization of members of the Bcl-2 protein family in the apoptosis effector phase. The regulatory proteins Bcl2, Bax, and Bak constitute a diffusion-driven molecular switch with inherent damping of apoptosis induction, thereby controlling the apoptosis reaction cascade under noisy, external apoptosis inducing conditions.
Contact: bernd.mayer@univie.ac.at
* To whom correspondence should be addressed.
Isotretinoin Laboratory Monitoring in Acne Treatment
Authors: Xia Eric , Han Jane , Faletsky Adam , Baldwin Hilary , Beleznay Katie , Bettoli Vincenzo , Dréno Brigitte , Goh Chee Leok , Stein Gold Linda , Gollnick Harald , Herane Maria Isabel , Kang Sewon , Kircik Leon , Mann Julianne , Nast Alexander , Oon Hazel H. , See Jo Ann , Tollefson Megha , Webster Guy , Zip Catherine , Tan Jerry , Tapper Elliot B. , Thiboutot Diane , Zaenglein Andrea , Barbieri John , Mostaghimi Arash 
Published: June 2022

ImportanceAlthough isotretinoin may rarely be associated with laboratory abnormalities such as hypertriglyceridemia, the optimal approach to laboratory monitoring is uncertain, and there is wide variation in clinical practice.ObjectiveTo establish a consensus for isotretinoin laboratory monitoring among a diverse, international cohort of clinical and research experts in acne.Design, Setting, and ParticipantsUsing a modified electronic Delphi process, 4 rounds of anonymous electronic surveys were administered from 2021 to 2022. For laboratory tests reaching consensus (≥70% agreement) for inclusion, questions regarding more time-specific monitoring throughout isotretinoin therapy were asked in subsequent rounds. The participants were international board-certified dermatologist acne experts who were selected on a voluntary basis based on involvement in acne-related professional organizations and research.Main Outcomes and MeasuresThe primary outcome measured was whether participants could reach consensus on key isotretinoin laboratory monitoring parameters.ResultsThe 22 participants from 5 continents had a mean (SD) time in practice of 23.7 (11.6) years and represented a variety of practice settings. Throughout the 4-round study, participation rates ranged from 90% to 100%. Consensus was achieved for the following: check alanine aminotransferase within a month prior to initiation (89.5%) and at peak dose (89.5%) but not monthly (76.2%) or after treatment completion (73.7%); check triglycerides within a month prior to initiation (89.5%) and at peak dose (78.9%) but not monthly (84.2%) or after treatment completion (73.7%); do not check complete blood cell count or basic metabolic panel parameters at any point during isotretinoin treatment (all >70%); do not check gamma-glutamyl transferase (78.9%), bilirubin (81.0%), albumin (72.7%), total protein (72.7%), low-density lipoprotein (73.7%), high-density lipoprotein (73.7%), or C-reactive protein (77.3%).Conclusions and RelevanceThis Delphi study identified a core set of laboratory tests that should be evaluated prior to and during treatment with isotretinoin. These results provide valuable data to guide clinical practice and clinical guideline development to optimize laboratory monitoring in patients treated with isotretinoin.
Polymer Colloids
Authors: Tangboriboonrat Pramuan , Sunintaboon Panya , Chaiyasat Amorn , Chaiyasat Preeyaporn 
Published: June 2022

AbstractThis article illustrates a comprehensive overview of polymer colloids in various aspects, including background, importance and preparation methods to fine‐tune their properties, particle morphology, particle analysis, and examples of their applications. For the preparation of polymer colloids, two general classifications, (heterogeneous) polymerization starting from monomers and nonpolymerization methods using preformed polymers as raw materials, are presented. A wide variety of preparation methods mainly based on emulsion polymerization including microemulsion and miniemulsion are given. Features of these methods and characteristics of polymer colloids obtained are also described. In fact, process operations influence the properties of polymer colloids, for example, copolymer composition, molecular weight distribution, polymer architecture, particle morphology, and particle size distribution. Thus, a summary of those process operations, that is, batch, semibatch, semicontinuous, and continuous processes, is included. Since particle morphology is of great importance for determining their properties and making them useful in a broad range of applications, the design and engineering for diversified types of structured particle are emphasized and related to their applications. Common analytical methods for particle analysis are included.
Comparison of Eclipse Smart Segmentation and MIM Atlas Segment for liver delineation for yttrium‐90 selective internal radiation therapy
Authors: Li Jun , Anne Rani 
Published: June 2022

AbstractPurposeThe aim was to compare Smart Segmentation of Eclipse treatment planning system and Atlas Segment of MIM software for liver delineation for resin yttrium‐90 (Y‐90) procedures.Materials and methodsCT images of 20 patients treated with resin Y‐90 selective internal radiation therapy (SIRT) were tested. Liver contours generated with Smart Segmentation and Atlas Segment were compared with physician manually delineated contours. Dice similarity coefficient (DSC), mean distance to agreement (MDA), and ratio of volume (RV) were calculated. The contours were evaluated with activity calculations and ratio of activity (RA) was calculated.ResultsMean DSCs were 0.77 and 0.83, MDAs were 0.88 and 0.71 cm, mean RVs were 0.95 and 1.02, and mean RAs were 1.00 and 1.00, for Eclipse and MIM results, respectively.ConclusionMIM outperformed Eclipse in both DSC and MDA, whereas the differences in liver volumes and calculated activities were statistically insignificant between the Eclipse and MIM results. Both auto‐segmentation tools can be used to generate initial liver contours for resin Y‐90 SIRT, which need to be reviewed and edited by physicians.
Ultrasensitive Solar‐Blind Ultraviolet Photodetector Based on FePSe3/MoS2 Heterostructure Response to 10.6 µm
Authors: Long Mingsheng , Shen Zhen , Wang Ruijie , Dong Qingsong , Liu Zhiyi , Hu Xin , Hou Jie , Lu Yuan , Wang Fang , Zhao Dongxu , Ding Fei , Tu Yubing , Han Tao , Li Feng , Zhang Zongyuan , Hou Xingyuan , Wang Shaoliang , Shan Lei 
Published: June 2022

AbstractMetal phosphorous tri‐chalcogenides are a category of new ternary 2D layered materials with a wide range of tuneable bandgaps (1.2–3.5 eV). These wide‐bandgap semiconductors exhibit great potential applications in solar‐blind ultraviolet (SBUV) photodetection. However, these 2D solar‐blind photodetectors suffer from low photoresponsivity, slow photoresponse speed, and narrow operation spectral region, thereby limiting their practical applications. Here, an ultra‐broadband photodetection based on a FePSe3/MoS2 heterostructure with coverage ranging from solar‐blind ultraviolet 265 nm to longwave infrared (LWIR) 10.6 µm is reported. Notably, the device exhibits excellent weak light detection capability. A high photoresponsivity of 33 600 A W−1 and an external quantum efficiency of 1.57 × 107% are demonstrated. A noise‐equivalent power as low as 5.7 × 10–16 W Hz−1/2 and a specific detectivity up to 1.51 × 1013 cm Hz1/2 W−1 are realized in the SBUV region. The room temperature LWIR photoresponsivity of 0.12 A W−1 is realized. This work opens a route to design high‐performance SBUV photodetectors and wide spectral photoresponse applications.
High‐Performance Biomechanical Energy Harvester Enabled by Switching Interfacial Adhesion via Hydrogen Bonding and Phase Separation
Authors: Wang Lingyun , Wang Yu , Bo Xiangkun , Wang Haoyu , Yang Su , Tao Xiaoming , Zi Yunlong , Yu William W. , Li Wen Jung , Daoud Walid A. 
Published: June 2022

AbstractDramatic advances in wearable electronics have triggered tremendous demands for wearable power sources. To mitigate the impact of CO2 emission on the environment caused by energy consumption, biomechanical energy harvesting for self‐powered wearable electronics offers a promising solution. The output power of devices largely relies on the surface charge density, where adhesion interfaces generate a higher amount than nonadhesion counterparts, yet unfavorable for wearable devices due to the large detachment force required. Thus, sustaining high surface charge density in an adhesion‐free interface represents a major challenge. Herein, by leveraging intermolecular interactions and solvent evaporation induced phase separation, a nonadhesion interface is successfully realized, minimizing the interfacial adhesion from 20 to 0 kPa. Importantly, benefiting from the induced nano/microscale topography upon phase separation, comparable surface charges are generated at the interface. Consequently, a high‐performance flexible biomechanical energy harvester featuring a record high peak power density of 20.5 W m‐2 Hz‐1 at low matching impedance of 1 MΩ is achieved under a low biomechanical input force of 5 N. The device can power small electronics by harvesting regular or intermittent biomechanical energy and illuminate light‐emitting diodes wired/wirelessly. This work provides a facile strategy for interfacial engineering toward efficient energy harvesting.
Nonlinear Computational Edge Detection Metalens
Authors: Zhou Junxiao , Zhao Junxiang , Wu Qianyi , Chen Ching‐Fu , Lei Ming , Chen Guanghao , Tian Fanglin , Liu Zhaowei 
Published: June 2022

AbstractOptical image processing and computing systems provide supreme information processing rates by utilizing parallel optical architectures. Existing optical analog processing techniques require multiple devices for projecting images and executing computations. In addition, those devices are typically limited to linear operations due to the time‐invariant optical responses of the building materials. In this work, a single metalens with an illumination intensity dependent coherent transfer function (CTF) is proposed and experimentally demonstrated, which performs varying computed imaging without requiring any additional optical components. The metalens consisting of nanoantenna structures with a static geometric phase and a nonlinear metallic quantum well layer offering an intensity‐dependent dynamic phase results in a continuously tunable CTF. The approach allows for a weighted summation of two designed functions based on the metalens design, which potentially enables all optical computations of complex functions. The nonlinear metalens may lead to important applications in optical neural networks and parallel analog computing.
Deep Learning Assisted Body Area Triboelectric Hydrogel Sensor Network for Infant Care
Authors: Guo Rui , Fang Yunsheng , Wang Zhaosu , Libanori Alberto , Xiao Xiao , Wan Dong , Cui Xiaojing , Sang Shengbo , Zhang Wendong , Zhang Hulin , Chen Jun 
Published: June 2022

AbstractInfants are physically vulnerable and cannot express their feelings. Continuous monitoring and measuring the biomechanical pressure to which an infant body is exposed remains critical to avoid infant injury and illness. Here, a body area sensor network comprising edible triboelectric hydrogel sensors for all‐around infant motion monitoring is reported. Each soft sensor holds a collection of compelling features of high signal‐to‐noise ratio of 23.1 dB, high sensitivity of 0.28 V kPa−1, and fast response time of 50 ms. With the assistance of deep learning algorithms, the body area sensor network can realize infant motion pattern identification and recognition with classification accuracy as high as 100%. Additionally, a customized user‐friendly cellphone application is developed to provide real‐time warning and one‐click guardian interaction. This self‐powered body area sensor network system provides a promising paradigm for reliable infant care in the era of the Internet of Things.
Unraveling Device Physics of Dilute‐Donor Narrow‐Bandgap Organic Solar Cells with Highly Transparent Active Layers
Authors: Schopp Nora , Akhtanova Gulnur , Panoy Patchareepond , Arbuz Alexandr , Chae Sangmin , Yi Ahra , Kim Hyo Jung , Promarak Vinich , Nguyen Thuc‐Quyen , Brus Viktor V. 
Published: June 2022

AbstractThe charge generation–recombination dynamics in three narrow‐bandgap near‐IR absorbing nonfullerene (NFA) based organic photovoltaic (OPV) systems with varied donor concentrations of 40%, 30%, and 20% are investigated. The dilution of the polymer donor with visible‐range absorption leads to highly transparent active layers with blend average visible transmittance (AVT) values of 64%, 70%, and 77%, respectively. Opaque devices in the optimized highly reproducible device configuration comprising these transparent active layers lead to photoconversion efficiencies (PCEs) of 7.0%, 6.5%, and 4.1%. The investigation of these structures yields quantitative insights into changes in the charge generation, non‐geminate charge recombination, and extraction dynamics upon dilution of the donor. Lastly, this study gives an outlook for employing the highly transparent active layers in semitransparent organic photovoltaics (ST‐OPVs).
Defect‐Engineered Magnetic Field Dependent Optoelectronics of Vanadium Doped Tungsten Diselenide Monolayers
Authors: Nisi Katharina , Kiemle Jonas , Powalla Lukas , Scavuzzo Alessio , Nguyen Tuan Dung , Taniguchi Takashi , Watanabe Kenji , Duong Dinh Loc , Burghard Marko , Holleitner Alexander W. , Kastl Christoph 
Published: June 2022

AbstractThe ability to dope transition metal dichalcogenides such as tungsten diselenide (WSe2) with magnetic transition metal atoms in a controlled manner has motivated intense research with the aim of generating dilute magnetic semiconductors. In this work, semiconducting WSe2 monolayers, substitutionally doped with vanadium atoms, are investigated using low‐temperature luminescence and optoelectronic spectroscopy. V‐dopants lead to a p‐type doping character and an impurity‐related emission ≈160 meV below the neutral exciton, both of which scale with the nominal percentage of V‐dopants. Measurements using field‐effect devices of 0.3% V‐doped WSe2 demonstrate bipolar carrier tunability. The doped monolayers display a clear magnetic hysteresis in transport measurements both under illumination and without illumination, whereas the valley polarization of the excitons reveals a nonlinear g‐factor without a magnetic hysteresis within the experimental uncertainty. Hence, this work on V‐doped WSe2 provides crucial insights concerning suitable characterization methods on magnetic properties of doped 2D materials.
Fine‐Tuning Single‐Source White‐Light Emission from All‐Inorganic Corrugated 2D Antimony‐Halide Perovskite
Authors: Xu Fei , Wang Xiang , Li Yue , Jiang Beng , Dong Zuoru , Yang Zichen , Kang Jiaxing , Shu Xin , Jiang Zuimin , Hong Feng , Xu Run , Ma Zhongquan , Chen Teng , Xu Zhan , Xu Haitao 
Published: June 2022

AbstractCorrugated 2D antimony‐halide perovskites such as Cs3Sb2Cl9 (CSC) are promising candidates for single‐source white‐light emission due to their ultra‐broadband spectra. However, CSC has a serious luminescence quenching phenomenon due to inadequate confinement of excitons. By the homovalent substitution of trivalent antimony cation Sb3+ by a small amount of trivalent rare earth (RE) cations RE3+, the photoluminescence intensities from high‐quality Cs3(Sb1−xREx)2Cl9 (CSRC) (RE = Ce, Sm, Nd, Y, Er, etc.) films at room temperature (RT) are over two orders of magnitude higher than that of CSC film. Especially, the photoluminescence quantum yield (PLQY) for the Cs3(Sb0.995Er0.005)2Cl9 film is 9.5% at RT, which is much higher than A3B2X9 perovskites previously reported for single‐source white‐light lighting. Furthermore, the Cs3(Sb0.995Er0.005)2Cl9 film exhibits an ultra‐broadband emission with the full width at half maximum reaching 554 meV at RT, resulting in a “warm” white‐light with the CIE coordinate (0.33, 0.46) and the correlated color temperature of 5450 K. The PLQY enhancement can be considered as the fact that a high activation energy by bandgap widening effect and Type‐I‐like “straddling” band alignment between Cs3Sb2Cl9 and Cs3Er2Cl9 lead to reducing nonradiative losses and increasing radiative recombination channels. Meanwhile, the spectral broadening can be considered to be attributed to strong effect of electron–phonon interaction.
Dual Functional Dopant‐Free Contacts with Titanium Protecting Layer: Boosting Stability while Balancing Electron Transport and Recombination Losses
Authors: Liu Zhaolang , Lin Hao , Wang Zilei , Chen Liyan , Wu Taojian , Pang Yicong , Cai Lun , He Jian , Peng Shanglong , Shen Hui , Gao Pingqi 
Published: June 2022

AbstractCombining electron‐ and hole‐selective materials in one crystalline silicon (Si) solar cell, thereby avoiding any dopants, is not considered for application to photovoltaic industry until only comparable efficiency and stable performance are achievable. Here, it is demonstrated how a conventionally unstable electron‐selective contact (ESC) is optimized with huge boost in stability as well as improved electron transport. With the introduction of a Ti thin film between a‐Si:H(i)/LiF and Al electrode, high‐level passivation (Seff = 4.6 cm s–1) from a‐Si:H(i) and preferential band alignment (ρC = 7.9 mΩ cm2) from low work function stack of LiF/Ti/Al are both stably retained in the newly constructed n‐Si/a‐Si:H(i)/LiF/Ti/Al ESC. A detailed interfacial elements analysis reveals that the efficiently blocked inward diffusion of Al from electrode by the Ti protecting layer balances transport and recombination losses in general. This excellent electron‐selective properties in combination with large process tolerance that enable remarkable device performance, particularly high efficiencies of 22.12% and 23.61%, respectively, are successfully approached by heterojunction solar cells with dopant‐free ESC and dopant‐free contacts for both polarities.
Bridging Multiscale Characterization Technologies and Digital Modeling to Evaluate Lithium Battery Full Lifecycle
Authors: Liu Xinhua , Zhang Lisheng , Yu Hanqing , Wang Jianan , Li Junfu , Yang Kai , Zhao Yunlong , Wang Huizhi , Wu Billy , Brandon Nigel P. , Yang Shichun 
Published: June 2022

AbstractThe safety, durability and power density of lithium‐ion batteries (LIBs) are currently inadequate to satisfy the continuously growing demand of the emerging battery markets. Rapid progress has been made from material engineering to system design, combining experimental results and simulations to enhance LIB performance. Limited by spatial and temporal resolution, state‐of‐the‐art advanced characterization techniques fail to fully reveal the complex multi‐scale degradation mechanism in LIBs. Strengthening interaction and iteration between characterization and modeling improves the understanding of reaction mechanisms as well as design and management of LIBs. Herein, a seed cyber hierarchy and interactional network framework is demonstrated to evaluate the overall lifecycle of LIBs. The typical examples of bridging the characterization techniques and modeling are discussed. The critical parameters extracted from multi‐scale characterization can serve as digital inputs for modeling. Furthermore, advanced computational techniques including cloud computing, big data, machine learning, and artificial intelligence can also promote the comprehensive understanding and precise control of the whole battery lifecycle. Digital twins techniques will be introduced enabling the real‐time monitoring and control of LIBs, autonomous computer‐assisted characterizations and intelligent manufacturing. It is anticipated that this work will provide a roadmap for further intensive research on developing high‐performance LIBs and intelligent battery management.
A dynamic 3‐factor survival model for acute myeloid leukemia that accounts for response to induction chemotherapy
Authors: Tefferi Ayalew , Gangat Naseema , Al‐Kali Aref , Alkhateeb Hassan , Shah Mithun , Patnaik Mrinal S. , Elliott Michelle A. , Hogan William J. , Litzow Mark R. , Hook Christopher C. , Mangaonkar Abhishek , Viswanatha David , Chen Dong , Pardanani Animesh , Ketterling Rhett P. , DiNardo Courtney D. , Kadia Tapan M. , Ravandi Farhad , Sasaki Koji , Begna Kebede H. 
Published: June 2022

AbstractThe current study was approached with the assumption that response to induction chemotherapy, in acute myeloid leukemia (AML), overshadows pre‐treatment risk variables in predicting survival and therefore be used as an anchor for a simplified risk model. We considered 759 intensively‐treated patients with AML, not promyelocytic: median age 60 years; primary 66%, secondary 25%, and therapy‐related 9%; European LeukemiaNet cytogenetic risk category favorable 8%, intermediate 61%, and adverse 31%. Complete remission with (CR) or without (CRi) count recovery was achieved in 608 (80%) patients. After a median follow‐up of 22 months, 503 deaths, 272 relapses, and 257 allogeneic hematopoietic stem cell transplants (AHSCTs) were recorded. Multivariable analysis identified failure to achieve CR/CRi (HR 3.8, 95% CI 3.1–4.8), adverse karyotype (2.2, 1.8–2.8), and age >55 years (2.1, 1.6–2.7) as main risk factors for survival. HR‐weighted scoring resulted in four‐tiered risk stratification: low (0 points; N = 183), intermediate‐1 (1 point; N = 331), intermediate‐2 (2 points; N = 117), and high (≥3 points; N = 128), with respective median survival (5‐year rate) not reached (68%), 34 (37%), 13 (20%), and 5 (5%) months (p < .001). FLT3‐ITD mutation was associated with inferior survival in intermediate‐1 (p = .004) and TP53 in intermediate‐2 (p = .06) and high (p = .02) risk disease; the latter was fully accounted for by the close association between TP53 mutation and complex/monosomal karyotype while the observations regarding FLT3‐ITD were not affected by treatment with midostaurin. AHSCT had a favorable impact on survival, most apparent in intermediate‐1 (p < .001), intermediate‐2 (p = .03), and high (p = .01) risk disease. The proposed 3‐factor survival model offers a novel prototype that is amenable to further enhancement by molecular information and was validated in an external cohort of 1032 intensively‐treated AML patients.