bluuebunny/crossref_metadata_2025 huggingface dataset:
Performance of one-dimensional chirp sonar inversion in complex environments
Authors: Turgut Altan
Published: July 2002

Chirp sonar surveys can provide subbottom images with cm-scale vertical resolution and tens of meters of penetration into the sediment. Recently, chirp sonar reflection amplitude data have been used for the inversion of subbottom attenuation and impedance profiles [e.g., Panda et al., J. Acoust. Soc. Am. 96, 3022–3035 (1994)]. Furthermore, by making use of physics-based sediment models and correlation between certain parameters, real-time estimation of sediment properties such as density, porosity, and sound-speed profiles has become possible [Turgut and Wolf, J. Acoust. Soc. Am. 98, 2972(A) (1995)]. In this work, effects of fine layering and lateral inhomogeneities on the performance of chirp sonar inversion have been studied. Simulated reflection amplitude data were obtained by using a 2-D pseudospectral method for a poro-viscoacoustic sediment model based on the Biot theory. Limits of one-dimensional inversion were discussed in this framework and several recommendations were made to improve the data collection methods in more complex environments. [Work supported by ONR.]
Evaluation of unsteady Couette-flow measurement under the influence of fluid inertia
Authors: Aschoff D. , Schümmer P.
Published: July 2002

The use of modern viscometers ensures that the inertia of the measuring device in unsteady rheometry is taken into account. This is made possible by appropriate viscometer design, or by considering the transmission function during the recording of data. On the other hand the inertia of the fluid in general is neglected in the evaluation of experiments. This leads to errors in the determination of material functions for liquids with low-shear viscosities, such as dilute polymer solutions. For shear oscillatory experiments evaluation methods are presented for cylindrical and plane Couette flow which yield the complex viscosity of linear viscoelasticity taking into account fluid inertia. For cessation or inception of steady-shear flow one has to assume a specific constitutive equation for linear viscoelastic liquids in order to develop a correct evaluation method. Relations are presented for Maxwell and Jeffreys fluids. For more complicated models a numerical evaluation method is outlined.
Conformation and Configuration
Authors: Tonelli Alan E.
Published: March 2023

The unique feature of polymers is the flexibility of their long chains, achieved by rotation about their many backbone bonds, which enable them to assume an extremely large number of different Conformations. This is the source of their unique material behaviors, such as rubber‐like elasticity and their time and processing dependencies. Polymer conformations and material properties depend upon their Configurations, among which are the mode of enchainment of diene monomers, regiosequences (directions of monomer insertion), the stereosequences (stereochemical arrangements of atoms in the polymer chain), co‐monomer sequences of vinyl polymers, branches, and cross‐links. Polymer configurations cannot be altered without breaking and reforming their covalent bonds. In this article, we describe how the conformational characteristics of polymers can be rigorously treated, with account explicitly taken of their configurations, and how various conformationally averaged chain properties can be connected to the behaviors of their materials to allow improved structure–property relations. As examples, because
13
C NMR resonances depend on local polymer microstructures, the average bond conformation probabilities calculated for each microstructure can be used to assign their resonances. The applied to its dilute solution (the Kerr‐Effect) is very sensitive to the Configuration/Macrostructure of the overall polymer chain. When compared to the molar Kerr constants (mK) calculated for chains possessing the microstructures determined by
13
C NMR, the Macrostructures or complete molecular architectures of polymer chains may be revealed.
Piezoelectric Polymers
Authors: Liu Yang , Wang Qing
Published: March 2023

Piezoelectric polymers are promising alternatives to perovskite ferroelectrics to develop soft and flexible sensors, actuators, robotics, and energy harvesters due to low cost, flexibility, biocompatibility, smaller acoustical impedance and so on. This article provides an update on the major advancements in the development of poly(vinylidene fluoride)‐based ferroelectric polymers for piezoelectric applications and summarizes the physical models used to understand the negative longitudinal piezoelectric coefficients. We address the fundamentals in understanding of the piezoelectric effect in other piezoelectric polymers and also discuss the piezoelectric polymer‐based devices.
Incorporating Wireless Strategies to Wearable Devices Enabled by a Photocurable Hydrogel for Monitoring Pressure Information
Authors: Guo Yunjian , Yin Feifei , Li Yang , Shen Guozhen , Lee Jong‐Chul
Published: March 2023

Advances in emerging technologies for wireless collection and the timely analysis of various information captured by wearable devices are of growing interest. Herein, a crosslinked ionic hydrogel prepared by a facile photocuring process is proposed, which allows wearable devices to be further incorporated into two wireless integrated systems for pressure monitoring applications. The device exhibits a simplified structure by effectively sharing functional layers, rather than conventional two separate combinations, offering the salient performance of iontronic sensing and electrochromic properties to simultaneously quantify and visualize pressure. The developed smart patch system is demonstrated to monitor physiological signals in real‐time utilizing the user interface of remote portable equipment with the Bluetooth protocol and on‐site electrochromic displays. Moreover, a passive wireless system based on the magnetic coupling effect is designed, which can operate free from the battery and simultaneously acquire multiple pressure information. It is envisioned that the strategies would hold enormous potential for flexible electronics, versatile sensing platforms, and wireless on‐body networks.
3D Biomimetic Calcified Cartilaginous Callus that Induces Type H Vessels Formation and Osteoclastogenesis
Authors: Qiu Minglong , Li Changwei , Cai Zhengwei , Li Cuidi , Yang Kai , Tulufu Nijiati , Chen Bo , Cheng Liang , Zhuang Chengyu , Liu Zhihong , Qi Jin , Cui Wenguo , Deng Lianfu
Published: March 2023

The formation of a calcified cartilaginous callus (CACC) is crucial during bone repair. CACC can stimulate the invasion of type H vessels into the callus to couple angiogenesis and osteogenesis, induce osteoclastogenesis to resorb the calcified matrix, and promote osteoclast secretion of factors to enhance osteogenesis, ultimately achieving the replacement of cartilage with bone. In this study, a porous polycaprolactone/hydroxyapatite‐iminodiacetic acid‐deferoxamine (PCL/HA‐SF‐DFO) 3D biomimetic CACC is developed using 3D printing. The porous structure can mimic the pores formed by the matrix metalloproteinase degradation of the cartilaginous matrix, HA‐containing PCL can mimic the calcified cartilaginous matrix, and SF anchors DFO onto HA for the slow release of DFO. The in vitro results show that the scaffold significantly enhances angiogenesis, promotes osteoclastogenesis and resorption by osteoclasts, and enhances the osteogenic differentiation of bone marrow stromal stem cells by promoting collagen triple helix repeat‐containing 1 expression by osteoclasts. The in vivo results show that the scaffold significantly promotes type H vessels formation and the expression of coupling factors to promote osteogenesis, ultimately enhancing the regeneration of large‐segment bone defects in rats and preventing dislodging of the internal fixation screw. In conclusion, the scaffold inspired by biological bone repair processes effectively promotes bone regeneration.
Enhancing CO2 Electroreduction to Ethylene via Copper−Silver Tandem Catalyst in Boron‐Imidazolate Framework Nanosheet
Authors: Shao Ping , Zhang Hai‐Xia , Hong Qin‐Long , Yi Luocai , Li Qiao‐Hong , Zhang Jian
Published: March 2023

Copper‐based tandem catalysts with a well‐defined Cu coordination environment for the electrochemical CO2 reduction reaction (CO2RR) are highly desirable, due to their unique geometric‐electronic properties and helpfulness for revealing structure–property correlations. Here, this work synthesizes a tandem catalyst at atomic configuration scale, Ag@BIF‐104NSs(Cu), by using the ultrathin boron imidazolate framework (BIF) nanosheets as support to load Ag nanoparticles (NPs). Due to the highly ordered benzoate ligands decorated on the Cu sites of BIF‐104NSs(Cu), Ag NPs are located in atomic proximity to Cu sites via a coordination effect. Electrochemical CO2RR measurements show this tandem catalyst highly improves the selectivity and activity for the CO2 reduction to ethylene. The faradaic efficiency (FEC2H4) of 21.43% is significantly higher than that of BIF‐104NSs(Cu) (3.82%). Further, density functional theory calculations reveal that the Ag sites in the composite can efficiently reduce CO2 to *CO, that subsequently migrate to the Cu sites. Thereafter, the Cu–Ag atom pair is responsible for the C–C coupling of the local enriched *CO and further formation of C2H4.
Double Fence Porphyrins Featuring Indacenodithiophene Group as an Effective Donor for High‐Efficiency Dye‐Sensitized Solar Cells
Authors: Chen Ching‐Chin , Chen Yu‐Hsuan , Nguyen Vinh Son , Chen Sheng‐Yang , Tsai Meng‐Chen , Chen Jia‐Sian , Lin Sing‐Yu , Wei Tzu‐Chien , Yeh Chen‐Yu
Published: March 2023

Porphyrins are an important category of dyes for efficient dye‐sensitized solar cells (DSSCs). However, the efficiency improvement of DSSCs lags behind those of organic and perovskite solar cells owing to deficiencies in new design strategies of dye molecular structures. Recently, double fence porphyrins with superior photovoltaic performance were reported, in which eight alkoxyl chains were introduced to wrap the porphyrin core and retard the approach of the electrolyte to the surface of TiO2. On the basis of the design strategy of double fence porphyrins, novel porphyrins bJS8, YS2, YS3, YS7, and MC1 featuring dual functional indacenodithiophene group are synthesized and their photovoltaic performance in DSSCs are studied. Among these new double fence porphyrin dyes, YS7 exhibits an improved power conversion efficiency of 11.4% (short circuit photocurrent (JSC) = 17.34 mA cm−2, open circuit photovoltage (VOC) = 0.864 V, and fill factor (FF) = 0.758) compared to the previously reported double fence porphyrin bJS2 of 10.7% (JSC = 16.59 mA cm−2, VOC = 0.849 V, and FF = 0.759) and the benchmark porphyrin dye GY50 of 10.1% (JSC = 16.14 mA cm−2, VOC = 0.863 V, and FF = 0.725) under optimized conditions, providing a new molecular design strategy for high‐efficiency porphyrin dyes in DSSCs.
A Voxel‐Based Approach for the Generation of Advanced Kinematics at the Microscale
Authors: Decroly Gilles , Chafaï Adam , de Timary Guillaume , Gandolfo Gabriele , Delchambre Alain , Lambert Pierre
Published: March 2023

In soft robotics, the ability to generate advanced kinematics is a necessary step toward any more sophisticated tasks such as microobject manipulation, locomotion, or configuration changes. To this end, herein, a modular voxel‐based methodology adaptable to any scale and with any soft transducer is presented. The methodology is implemented at the micrometer scale with a one‐step fabrication process. An innovative gray‐tone lithography method using the two‐photon polymerization of photosensitive poly(N‐isopropylacrylamide) hydrogel is developed to print the voxels. Bending, compression, and twisting voxels are designed, printed, and characterized. A voxel consists of an isotropically shrinking active material reinforced adequately with a passive pattern. Each elementary voxel deforms along one degree of freedom and is a building block for superstructures able of advanced kinematics. With a side length of 40 μm, the bending voxel achieves a bending angle of 25º or curvature of . The compression voxel reaches an actuation strain of 40%, and the twisting voxel bends up to 18º. Advanced kinematics are demonstrated by printing complex structures composed of multiple elementary voxels. Herein, a foundation toward soft microrobots capable of performing complex tasks is constituted.
Advances in Finite Element Analysis of External Field‐Driven Micro/Nanorobots: A Review
Authors: Liu Yang , Feng Ying , An Miao , Sarwar Muhammad Tariq , Yang Huaming
Published: March 2023

With the development of nanotechnology, micro/nanorobots (MNRs) have become promising medical tools given their advantages of unconstrained and precisely controlled navigation. However, given the complexity of MNRs’ dynamic biological environments and the limitations of current experimental methods, it remains challenging to simulate the motion mechanism, functional implementation strategy, and adaptability of MNRs in dynamic environments. Finite element analysis (FEA) plays an important role in MNR research; thorough review of state‐of‐the‐art research on MNRs. FEA is used to simulate MNRs motion mechanism, and theoretical models combined with experimental results are proposed to explain the motion mechanism. FEA can reduce the error rate of experiments. Combined with the simulation results, the optimal scheme is selected for experiments, and a reliable design strategy of MNRs is obtained. FEA has become a more effective method to obtain the optimal design of MNRs for in vivo applications. Therefore, herein, the design and driving mechanism of MNRs, the different solutions proposed for complex dynamic environments, and the use of FEA in the related research are introduced by this review. The current challenges and future research directions of FEA combined with external field‐driven MNRs are summarized.
Power‐Law‐Based Synthetic Minority Oversampling Technique on Imbalanced Serum Surface‐Enhanced Raman Spectroscopy Data for Cancer Screening
Authors: Pan Changbin , Peng Kaiming , Chen Tong , Chen Guannan , Lin Yuxiang , Zhang Qiyi , Liu Miaomiao , Lin Duo , Wang Tingyin , Feng Shangyuan
Published: March 2023

Surface‐enhanced Raman spectroscopy (SERS) has shown highly promising for existing cancer screening. However, previous “proof‐of‐concept” studies ignored the natural imbalance of cancer types in the population, leading the model to be biased toward learning more features in majority class during the learning process at the expense of ignoring minority class. Herein, a power‐law‐based synthetic minority oversampling technique (PL‐SMOTE) method is proposed to guide the resampling of multiclass serum SERS data by analyzing the long‐tailed (power‐law) distribution of cancer prevalence in the population. The proposed PL‐SMOTE method balances the number of minorities to resample and the number of overlaps between classes by introducing modulating factor. Modeling on resampled datasets synthesized by PL‐SMOTE verifies the effectiveness of proposed PL‐SMOTE method. After further fine‐tuning, the parameters of the deep neural network model and PL‐SMOTE method, an optimal cancer screening model with an optimal macroaveraged Recall score of 97.24% and an optimal macroaveraged F2‐Score of 97.38% is obtained. A new method for multiclass imbalanced resampling is provided, which has significant improvement on model performance in terms of SERS cancer screening. The method also inspires in other multiclass imbalanced scenario, such as biological medicine, abnormal detection, and disaster prediction.
Integrative taxonomy of Ceriagrion species from China (Odonata: Coenagrionidae)
Authors: Yu Xin , Chen Churu , Zhang Min
Published: March 2023

More than 800 specimens of Chinese Ceriagrion were studied, almost a quarter were used for molecular analysis. Methods of cladistics, ABGD, jMOTU, bPTP, as well as morphology, were used for species delimitation. Nine species were identified and confirmed occurring in China. A taxonomic key of males was given. Two new synonyms (Ceriagrion chaoi to Ceriagrion bellona, Ceriagrion olivaceum to Ceriagrion azureum) were proposed, Ceriagrion malaisei was confirmed new to China, the distribution of Ceriagrion rubiae in China was eliminated, and three incorrect identifications were corrected.
An analytical representation of raindrop size distribution in a mixed convective and stratiform precipitating system as revealed by field observations
Authors: Okazaki Megumi , Oishi Satoru , Awata Yasuhiro , Yanase Tomoro , Takemi Tetsuya
Published: March 2023

This study investigated a rainfall event under a typhoon influence using a 2D video disdrometer and weather radar observations to characterize raindrop size distribution (DSD) in a mixed convective and stratiform precipitating system. During the time period when both convective and stratiform rainfalls existed, the DSDs generally indicated a monotonically decreasing shape with increasing particle size, with a relatively gradual decrease at intermediate particle size observed at certain times; this feature is attributed to the combined effect of convective and stratiform rainfalls. During the transitional period between convective and stratiform rainfalls, the DSDs exhibited a bimodal shape. The DSDs were well approximated by a newly proposed gamma raindrop distribution combined with exponential (GRACE) distribution function, which was defined as the sum of the exponential distribution and the gamma distribution. A comparison of the volume ratio of the exponential and gamma components of the GRACE distribution revealed that the exponential component of the DSD was larger than the gamma component in the bimodal DSD. These results suggest that the DSD became bimodal during the period when stratiform rainfall predominated because of the weakening of convective rainfall. The GRACE distribution is useful for understanding cloud‐microphysical processes in mixed stratiform and convective precipitation conditions.
X‐HESS: A large sample of highly accreting serendipitous AGN under the XMM‐Newton microscope
Authors: Laurenti M. , Tombesi F. , Vagnetti F. , Piconcelli E. , Guainazzi M. , Middei R.
Published: March 2023

The bulk of X‐ray spectroscopic studies of active galactic nuclei (AGN) are focused on local () sources with low‐to‐moderate (<0.3) Eddington ratio (). It is then mandatory to overcome this limitation and improve our understanding of highly accreting AGN. In this work, we present the preliminary results from the analysis of a sample of high‐ radio‐quiet AGN at , based on the 10th release of the XMM‐Newton serendipitous source catalog, that we named as XMM‐Newton High‐Eddington Serendipitous AGN Sample (X‐HESS). Almost of the X‐HESS AGN have multi‐epoch archival observations and of the sources can rely on simultaneous OM optical data. First results reveal sources showing signatures of ultra‐fast outflows and remarkable long‐ and short‐term X‐ray flux variations. Indeed in SDSS J095847.88+690532.7 (), one of the most densely monitored objects hosting a supermassive black hole, we discovered a variation of the soft X‐ray flux by a factor of >2 over approximately one week (rest‐frame). Large variations in the power‐law continuum photon index are also observed, questioning expectations from previously reported relations, for which would be a ubiquitous hallmark of AGN with .
Enhanced Zn2+ Transport in Ionic Liquid Electrolyte by Hydrofluoroether Dilution for High‐Power and Long‐Life Zn/Graphite Cells
Authors: Li Na , Wang Jia , Zhang Qingwei , Zhou Xinhong , Wang Hao , Lu Guoli , Zhao Jingwen , Chen Zheng , Cui Guanglei
Published: March 2023

Ionic liquid (IL) electrolytes have been widely used in high‐voltage Li‐based dual ion batteries (DIBs) due to their strong resistance against oxidation. However, their applications in Zn‐based DIBs are restricted because the high charge density of divalent Zn2+ aggravates the ionic interactions in ionic networks and leads to insufficient Zn2+ mobility. Herein, we introduce a hydrofluoroether diluent into a Zn‐based IL electrolyte to break down the larger ionic aggregates into smaller ones with weakened ionic interactions. This unique solvation structure reduces the Stokes radius of Zn2+ from 1.3 nm to 0.97 nm and increases its diffusion coefficient by ∼30 times while retaining the high oxidation stability, enabling the charge/discharge cycling of Zn/graphite DIBs at a high rate of 20 C. Moreover, the enhanced mobility of Zn2+ also promotes compact Zn deposition, which allows the operation of anode‐free Zn/graphite DIBs with 90 % capacity retention after 100 cycles.
The Arf family GTPases: Regulation of vesicle biogenesis and beyond
Authors: Li Fu‐Long , Guan Kun‐Liang
Published: March 2023

The Arf family proteins are best known for their roles in the vesicle biogenesis. However, they also play fundamental roles in a wide range of cellular regulation besides vesicular trafficking, such as modulation of lipid metabolic enzymes, cytoskeleton remodeling, ciliogenesis, lysosomal, and mitochondrial morphology and functions. Growing studies continue to expand the downstream effector landscape of Arf proteins, especially for the less‐studied members, revealing new biological functions, such as amino acid sensing. Experiments with cutting‐edge technologies and in vivo functional studies in the last decade help to provide a more comprehensive view of Arf family functions. In this review, we summarize the cellular functions that are regulated by at least two different Arf members with an emphasis on those beyond vesicle biogenesis.
Identifying the equifinal configurations of prompting green supply chain integration and subsequent performance outcome
Authors: Feng Taiwen , Sheng Hongyan
Published: March 2023

Although green supply chain integration (GSCI) is essential for enterprises to address environmental challenges, existing literature mainly focuses on the net effect of a single factor that cannot well explain and guide the implementation of GSCI. Based on technology–organization–environment (TOE) framework, we develop a configurational framework and propose that GSCI depends on the interactions between perceived institutional force, green human resource management (GHRM), and big data analytics capability (BDAC). Moreover, we further investigate the impacts of high GSCI generated by different configurations on operational and environmental performance. By integrating fuzzy set qualitative comparative analysis (fsQCA) and propensity score matching, we reveal multiple equifinal configurations sufficient to three dimensions of GSCI and identify them into three types: GHRM oriented, GHRM + BDAC oriented, and perceived institutional force + GHRM + BDAC balance. The results further indicate that high GSCI triggered by multiple configurations has different effects on operational and environmental performance. These findings extend the GSCI research and provide theoretical guidance for managers to develop GSCI.
FIGHT‐102: A phase 1 study of pemigatinib in Japanese patients with advanced malignancies
Authors: Fujiwara Yutaka , Kuboki Yasutoshi , Furukawa Masayuki , Mizuno Nobumasa , Hara Hiroki , Ioka Tatsuya , Ueno Makoto , Takahashi Yasuo , Takahashi Shunji , Takeuchi Shinji , Lihou Christine , Ji Tao , Tian Chenwei , Shimizu Toshio
Published: March 2023

Background

FIGHT‐102 was a phase 1, dose‐escalation, dose‐expansion study of pemigatinib in Japanese patients with advanced solid tumors. Here, we report safety, tolerability, and preliminary efficacy of pemigatinib from FIGHT‐102.

Methods

Patients (≥20 years old) self‐administered oral pemigatinib 9, 13.5, or 18 mg QD on intermittent dosing (Part 1) or 13.5 mg QD intermittent or continuous dosing (Part 2). A dosing cycle was 21 days (2 weeks on/1 week off or 21 continuous days). Primary endpoint was safety. Secondary endpoints were pharmacokinetics, pharmacodynamics, and preliminary efficacy.

Results

Forty‐four patients (Part 1, n = 14; Part 2, n = 30) were enrolled; most common tumors, cholangiocarcinoma, n = 8; esophageal, n = 6; 26 patients had confirmed FGF/FGFR alterations (Part 1, n = 3; Part 2, n = 23); 70.5% had ≥3 prior systemic therapies. Maximum tolerated dose was not identified. The recommended phase 2 dosage was determined to be 13.5 mg QD. Most common treatment‐emergent adverse events (TEAEs) were hyperphosphatemia (81.8%), dysgeusia (45.5%), stomatitis (43.2%), and alopecia (38.6%); most frequent Grade ≥3 TEAEs were anemia and decreased appetite (9.1% each). In Part 1, no patient achieved partial response (PR) or complete response, and 7 (50.0%) patients had stable disease (SD). In Part 2, 5 (16.7%) patients achieved PR (one each with cholangiocarcinoma, gall bladder cancer, breast cancer, urothelial tract/bladder cancer, and sweat gland carcinoma) and 6 (20%) had SD. Median duration of response was 9.56 months (95% CI: 4.17, 14.95).

Conclusions

Pemigatinib demonstrated manageable adverse events, consistent pharmacokinetics and pharmacodynamics profiles, and preliminary efficacy in Japanese patients with advanced solid tumors.
The baseline comorbidity burden affects survival in elderly patients with acute myeloid leukemia receiving hypomethylating agents: Results from a multicentric clinical study
Authors: Marconi Giovanni , Candoni Anna , Di Nicola Roberta , Sartor Chiara , Parisi Sarah , Abbenante Mariachiara , Nanni Jacopo , Cristiano Gianluca , Zannoni Letizia , Lazzarotto Davide , Giannini Benedetta , Baldazzi Carmen , Bandini Lorenza , Ottaviani Emanuela , Testoni Nicoletta , Bezzi Chiara Di Giovanni , Abd‐alatif Rania , Ciotti Giulia , Fanin Renato , Martinelli Giovanni , Paolini Stefania , Ricci Paolo , Cavo Michele , Papayannidis Cristina , Curti Antonio
Published: March 2023

Background

In older patients with acute myeloid leukemia (AML), the definition of fitness, prognosis, and risk of death represents an open question.

Methods

In the present study, we tested the impact on survival of disease‐ and patient‐related parameters in a large cohort of elderly AML patients homogeneously assigned to treatment with hypomethylating agents (HMAs).

Results

In 131 patients with a median age of 76 years, we confirmed that early response (<0.001) and biology‐based risk classification (p = 0.003) can select patients with better‐predicted survival. However, a full disease‐oriented model had limitations in stratifying our patients, prompting us to investigate the impact of baseline comorbidities on overall survival basing on a comorbidity score. The albumin level (p = 0.001) and the presence of lung disease (p = 0.013) had a single‐variable impact on prognosis. The baseline comorbidity burden was a powerful predictor of patients' frailty, correlating with increased incidence of adverse events, especially infections, and predicted overall survival (p < 0.001).

Conclusion

The comorbidity burden may contribute to impact prognosis in addition to disease biology. While the therapeutic armamentarium of elderly AML is improving, a comprehensive approach that combines AML biology with tailored interventions to patients' frailty is likely to fully exploit the anti‐leukemia potential of novel drugs.
A stable and adaptive polygenic signal detection method based on repeated sample splitting
Authors: Zhao Yanyan , Sun Lei
Published: March 2023

Focusing on polygenic signal detection in high‐dimensional genetic association studies of complex traits, we develop a stable and adaptive test for generalized linear models to accommodate different alternatives. To facilitate valid post‐selection inference for high‐dimensional data, our study here adheres to the original sample‐splitting principle but does so repeatedly to increase stability of the inference. We show the asymptotic null distribution of the proposed test for both fixed and diverging numbers of variants. We also show the asymptotic properties of the proposed test under local alternatives, providing insights on why power gain attributed to variable selection and weighting can compensate for efficiency loss due to sample splitting. We support our analytical findings through extensive simulation studies and two applications. The proposed procedure is computationally efficient and has been implemented as the R package DoubleCauchy.
Mitigating hERG Liability of Toll‐Like Receptor 9 and 7 Antagonists through Structure‐Based Design
Authors: Das Nirmal , Bhattacharya Debomita , Bandopadhyay Purbita , Dastidar Uddipta Ghosh , Paul Barnali , Rahaman Oindrila , Hoque Israful , Patra Binita , Ganguly Dipyaman , Talukdar Arindam
Published: March 2023

hERG is considered to be a primary anti‐target in the drug development process, as the K+ channel encoded by hERG plays an important role in cardiac re‐polarization. It is desirable to address the hERG safety liability during early‐stage development to avoid the expenses of validating leads that will eventually fail at a later stage. We have previously reported the development of highly potent quinazoline‐based TLR7 and TLR9 antagonists for possible application against autoimmune disease. Initial experimental hERG assessment showed that most of the lead TLR7 and TLR9 antagonists suffer from hERG liability rendering them ineffective for further development. The present study herein describes a coordinated strategy to integrate the understanding from structure‐based protein‐ligand interaction to develop non‐ hERG binders with IC50 >30 μM with retention of TLR7/9 antagonism through a single point change in the scaffold. This structure‐guided strategy can serve as a prototype for abolishing hERG liability during lead optimization.
Beta‐blocker use and mortality among patients with systolic heart failure and pacemaker rhythm
Authors: Perry Andrew S. , Maggioni Aldo P. , Tavazzi Luigi , Levy Wayne C.
Published: March 2023

Aims

Beta‐blockers are proven to improve survival among patients with heart failure with reduced ejection fraction. Their efficacy in patients with heart failure with reduced ejection fraction and pacemaker devices has not been demonstrated. Our aim was to test the hypothesis that beta‐blocker therapy is associated with improved survival in patients with chronic heart failure and a pacemaker rhythm on electrocardiogram (ECG).

Methods and results

This is a post hoc analysis from the GISSI‐HF randomized clinical trial. We evaluated efficacy of beta‐blockers by creating Cox proportional hazards models adjusting for pacemaker rhythm and heart rate, among other variables. Interactions between pacemaker rhythm, heart rate, and beta‐blocker were also examined. Of the 6975 patients enrolled in the GISSI‐HF trial, 813 (11.7%) had a pacemaker rhythm on baseline ECG. Of these 813 patients, 511 (62.9%) were receiving beta‐blocker therapy. The effect of beta‐blocker therapy on mortality was assessed using multivariable Cox proportional hazards adjusted for 27 co‐variates. In the whole cohort, beta‐blocker therapy was significantly associated with reduced mortality (hazard ratio 0.79 [0.72–0.87], P < 0.001), without interaction between beta‐blockers, pacemaker rhythm and heart rate. Beta‐blocker therapy was beneficial in the sub‐group restricted to baseline pacemaker rhythm (hazard ratio 0.62 [0.49–0.79], P < 0.001).

Conclusions

Beta‐blocker therapy is associated with improved survival among patients with heart failure and a pacemaker rhythm on ECG. Further studies are necessary to analyse differences between atrial and ventricular pacemakers.
Slow Magnetic Relaxation of Ni(III) Complexes toward Molecular Spin Qubits
Authors: Toshima Keiga , Sato Tetsu , Horii Yoji , Sato Kazunobu , Sugisaki Kenji , Breedlove B. K. , Takaishi Shinya , Li Zhao‐Yang , Yamashita Masahiro
Published: March 2023

Molecule‐based magnetic materials are promising candidates for molecular spin qubits, which utilize spin relaxation behavior. Various kinds of transition metal complexes with S=1/2 have been reported to act as spin qubits with long spin‐spin relaxation times (T2). However, the spin qubit properties of low‐spin Ni(III) complexes are not as well known since Ni(III) compounds are often unstable. We report here the slow magnetic relaxation behavior and T2 values for three kinds of low‐spin Ni(III) based complexes with S=1/2 under magnetically diluted conditions. [Ni(cyclam)X2]Y (cyclam=1,4,8,11‐tetraazacyclotetradecane) with octahedral structures and [Ni(mnt)2]− (mnt=maleonitriledithiolate) with a square‐planar structure underwent slow magnetic relaxations in the presence of a dc magnetic bias field. From electron spin resonance (ESR) spectroscopy, the Ni(III) complexes exhibited observable T2, indicating that Ni(III) complexes are promising candidates for use as molecule‐based spin qubits.
A Microporous Bifunctional Electrochromic Energy‐Storage Polymer of Thiophene, Triphenylamine, and Thienothiophene
Authors: Topal Sema , Topal Sebahat , Suna Garen , Ustamehmetoğlu Belkıs , Ozturk Turan , Sezer Esma
Published: March 2023

The novel monomer, 4‐(2‐(4‐(bis(4‐(thiophen‐2‐yl)phenyl)amino)phenyl)‐5‐(thiophen‐2‐yl)thieno[3,2‐b]thiophen‐3‐yl)benzonitrile, is synthesized by applying Suzuki coupling reaction and electropolymerized directly onto indium tin oxide coated glass electrode surface to obtain a conjugated microporous polymer of [Th3CNTT–TPA] (P[Th3CNTT–TPA]). The morphology and structure of the polymer film are characterized by atomic force microscopy, Fourier transform infrared, and UV–visible spectroscopies. Electrochemical properties are studied using cyclic voltammetry, electrochemical impedance spectroscopy, galvanostatic charge–discharge, and chronoamperometric measurements. Its gravimetric capacity and capacitance values are measured to be 65 and 235 F g−1 at a current density of 3 A g−1, respectively. It shows high energy and power densities of 65 and 32.5 kWh kg−1, respectively, and exhibits high coloration efficiency of 513 C−1 cm2 in visible region, switching between yellow and grey colors. Three different electrochromic–supercapacitor devices, that is, one symmetrical (energy storage device (ESD)1) and two asymmetrical, using poly(3,4‐ethylendioxythiophen) (ESD2) and poly(3,4‐propylenedioxypyrrole) (ESD3) as counter electrodes, are fabricated. The asymmetrical device, ESD3, demonstrats better capacity and stability. Regarding the cyclic stability and electrochromic‐energy‐storage properties, P[Th3CNTT–TPA] can be considered as a good candidate for multifunctional applications.
Policy change to improve access to safe abortion care in federal Nepal
Authors: Lal Bibek Kumar , Pandav Rajesh Sambhajirao , Hyder Mohammad Khurshid Alam , Kalyanwala Shveta , Loi Ulrika Rehnström , Rajbhandari Sameena Vaidya , Singh Aliza , Kansal Amrita
Published: March 2023

In Nepal's constitution, safe abortion care is recognized as an essential component of a comprehensive approach to fulfill individuals' sexual and reproductive health and rights. In the current context of transition to a three‐level governance (federal, provincial, and local), there are opportunities to accelerate decentralization and devolution of decision‐making power, increase access to and coverage of safe abortion services, and improve health outcomes. This article documents the processes and results of the policy change undertaken by the Ministry of Health and Population in collaboration with development partners to decentralize the approval process of safe abortion sites and providers with the objective to increase access to and coverage of safe abortion services. With the decentralization of certification, the approval process for safe abortion service sites and providers has become simpler, less time consuming, and less expensive by reducing cost of traveling to Kathmandu or approaching authorities at the federal level. This has resulted in expanding safe abortion services across the country including remote areas with marginalized populations. Evidence‐based advocacy enabled policy change for decentralization of the approval process. Collaboration among stakeholders has been vital for implementing the policy change, including issuing directives from the federal to provincial levels and capacity strengthening of provincial level officials in understanding the requirements for approval of sites and providers.
Serious games for environmental education
Authors: Tan Cedric K. W. , Nurul‐Asna Hidayah
Published: March 2023

Serious games are increasingly popular in multiple fields, including education and environmental engagement. We conducted a systematic review to examine the reasons for this increasing popularity, the features of successful serious games and the current trend of serious games application in environmental education. Our systematic search revealed 56 records of papers (from years 2009 to 2023) on the use of serious games for environmental education. Thirty‐five were published in the recent 5 years reflecting a growing interest in this area. The games were aimed at imparting knowledge (N = 28), changing attitude (N = 28) and changing behaviour (N = 19). Reasons for the increased application of serious games include the raising awareness on serious games and growing investment in serious games development and research, as well as better technological access through mobile devices. Successful serious games exhibit the following features: an immersive experience, meaningful engagement, a learn‐by‐doing involvement, simulation of real‐world environmental problems, autonomy in game decisions and the presence of a guiding host. This review also revealed two categories of digital serious games: computer games (N = 14) and mobile apps (N = 11), and three categories of physical games: board games (N = 6), card game (N = 1) and role‐playing games (N = 2). The gaps include (1) the lack of in‐game experience data that limits our understanding of the impacts of commercial games, (2) variation in game experience and conservation experience among participants and how this translates to the impacts of serious games, and (3) lack of understanding of how the effects of serious games with high complexities on adults learning. Serious games are increasingly being digitised and moving towards location‐based games, alternate reality, augmented reality and virtual reality. These games can facilitate interaction between learners and the natural environment, and in turn strengthen environmental awareness and appreciation.
Testing for multiple level shifts with an integrated or stationary noise component
Authors: Carrion‐i‐Silvestre Josep Lluís , Gadea María Dolores
Published: March 2023

The paper analyzes the detection and estimation of multiple level shifts regardless of the order of integration of the time series. We show that it is possible to extend the Bai‐Perron methodology (1998) to the I(1) and NI(1) nonstationary cases so that a unified framework to test for the presence of multiple level shifts in a robust way is designed. The finite sample performance of the proposed statistics is carried out, establishing a comparison with other existing approaches in the literature. The paper illustrates the implementation of the statistics focusing on the real exchange rate with time series that either cover a long time period or provide a worldwide analysis. Robust detection of multiple level shifts is of great importance to define the statistical approach that is used to test the purchasing power parity hypothesis.
Raman spectroscopy in chronic heart failure diagnosis based on human skin analysis
Authors: Khristoforova Yulia A. , Bratchenko Lyudmila A. , Skuratova Maria A. , Lebedeva Elena A. , Lebedev Petr A. , Bratchenko Ivan A.
Published: March 2023

This work aims at studying Raman spectroscopy in combination with chemometrics as an alternative fast noninvasive method to detect chronic heart failure (CHF) cases. Optical analysis is focused on the changes in the spectral features associated with the biochemical composition changes of skin tissues. A portable spectroscopy setup with the 785 nm excitation wavelength was used to record skin Raman features. In this in vivo study, 127 patients and 57 healthy volunteers were involved in measuring skin spectral features by Raman spectroscopy. The spectral data were analyzed with a projection on the latent structures and discriminant analysis. 202 skin spectra of patients with CHF and 90 skin spectra of healthy volunteers were classified with 0.888 ROC AUC for the 10‐fold cross validated algorithm. To identify CHF cases, the performance of the proposed classifier was verified by means of a new test set that is equal to 0.917 ROC AUC.
Photodissociation dynamics of acetaldehyde at 267 nm: A computational study of the CO‐forming channels
Authors: Yuan Yu‐Wen , Tsai Po‐Yu
Published: March 2023

A recent experiment on the 267 nm photolysis of gaseous acetaldehyde reveals that the molecular products (CO + CH4) present product state distributions with computation –experiment discrepancy. This work aims to provide solution to such issue. The direct dynamics simulation of classical trajectories and the generalized multi‐center impulsive model (GMCIM) are both utilized to predict the product state distributions of CO and CH4 from 267 nm photolysis of acetaldehyde. Comparison with the experimental observation provides an assessment of the conventional approach of minimum energy path within the framework of three‐center transition state (TS) and CH3‐roaming pathways. The result shows that the high‐speed products observed in experiment are likely formed via the three‐center TS pathway. The reasons that lead to the discrepancy between computation and experiments in previous studies are also investigated. A better agreement between computational and state‐resolved experimental results can be achieved by selecting specific internal states of CO product from the computational data.
The effects of note taking as a visual mediation strategy on the formation of equivalence classes
Authors: Frampton Sarah E. , Axe Judah B. , Miguel Caio F.
Published: March 2023

A graphic organizer (GO) is a note‐taking device with concepts and fill‐in spaces that may enhance equivalence yields under suboptimal training and testing parameters (e.g., linear training, simultaneous testing, five‐member all‐abstract classes). We used a nonconcurrent multiple‐probe design across eight adult participants to evaluate the effects of a treatment package consisting of abstract matching‐to‐sample baseline relations training (MTS‐BRT) and GO‐construction training. GOs were faded until participants drew or wrote the trained relations from a blank page, which was available in the pre‐ and posttests. There was a 75% yield (six of eight participants) on the first posttest and a 100% yield following remedial training with Set 1. With Set 2, MTS‐BRT alone resulted in voluntary GO construction and a 75% yield (three of four participants) on the first posttest and a 100% yield following remedial training. These results suggest that teaching participants to draw relations among stimuli may strengthen the effects of MTS‐BRT training on equivalence yields.
Raman identification of single cell component and FMS‐like tyrosine kinase 3‐internal tandem duplications subtype for clinical acute myeloid leukemia
Authors: Wang Yimeng , Wu Yihui , Chi Mingbo , Li Mingxin , Gao Sujun , Su Long , Han Wei
Published: March 2023

Acute myeloid leukemia (AML) is a malignant clonal blood disease of hematopoietic stem cells with poor prognosis. Traditional diagnosis of AML depends on the morphology, immunology, cytogenetics, and molecular biology (MICM) classification. As a rapid, label‐free and non‐destructive detection method, Raman spectroscopy can characterize the molecular information in the biochemical process at the molecular level through peak position, intensity and other information. In this paper, we collected leukemic blast cells from 19 AML patients. Firstly, it was proved that with the help of multivariate analysis methods such as principal component analysis‐linear discriminant analysis (PCA‐LDA) and multivariate curve resolution‐alternating least squares (MCR‐ALS), Raman spectroscopy could effectively distinguish AML cells from normal leukocytes, and the accuracy rate was up to 96.71%. The results showed that compared with normal leukocytes, multiple components of information decomposed by the AML spectrum represented abnormal alterations in proteins, nucleic acids, lipids and carbohydrates in leukemia cells. Secondly, the same procedure was used to further detect different types of AML and found that Raman spectroscopy could distinguish AML cells with FMS‐like tyrosine kinase 3‐Internal Tandem Duplications (FLT3‐ITD) mutations or not, and there were differences in spectral characteristics corresponding to nucleic acids and proteins (amino acids). The above results revealed that Raman spectroscopy has great potential for clinical diagnosis and mechanistic study of AML.
Interfacial compositions of fat globules modulate structural characteristics and lipolysis of its model emulsions during in‐vitro digestion
Authors: Sun Yue , Liu Shuming , Ma Shuaiyi , Sun Lina , Li Xiaodong , Liu Lu , Ma Chunli , Fanny Massounga Bora Awa , Jiao Yang , Bi Lianji
Published: March 2023

BACKGROUND

This study investigated whether milk fat globule membrane as an emulsifier could make fat easier for infants to digest. An emulsion was formed using the membrane material, where anhydrous milk fat was used as the core material, milk fat globule membrane polar lipid (MPL) as the emulsifier, and soybean phospholipid (PL) and milk protein concentrate (MPC) incorporated as control emulsifiers. Structural characterization, glyceride composition, and fatty acid release from emulsions by in vitro digestion were investigated.

RESULTS

The average particle size at the end of intestinal digestion was in the order MPL < PL < MPC, with diameters of 3.41 ± 0.51 μm, 3.53 ± 0.47 μm, and 10.46 ± 2.33 μm respectively. Meanwhile, laser scanning confocal microscopy results also illustrated that MPL could reduce the degree of aggregation during digestion. The lipolysis degree of MPL emulsion was higher than that of PL and MPC emulsions. MPL not only released higher levels of long‐chain fatty acids, such as C18:1, C18:2, C18:3, which are of great significance for infant growth and development, but also released increased levels of C20:4 (arachidonic acid) and C22:6 (docosahexaenoic acid) than PL and MPC emulsions did.

CONCLUSION

Fat droplets enveloped by milk fat globule MPLs were easier to digest and are therefore more suitable for infant formula. © 2023 Society of Chemical Industry.
Switchable polarization volume gratings for augmented reality waveguide displays
Authors: Li Yannanqi , Semmen John , Yang Qian , Wu Shin‐Tson
Published: March 2023

A new electrically driven polymer‐stabilized polarization volume grating (PVG) is developed. The diffraction efficiency can be modulated by a vertical electric field. A small amount of liquid crystal monomer is doped into the host cholesteric liquid crystal to form a stabilized polymer network to make the unwinding process reversible. The fabricated device exhibits submillisecond response time, a large range of diffraction efficiency modulation, and clear see‐through capability. Some potential applications are demonstrated, including a significantly suppressed rainbow effect, enhanced light efficiency, and expanded field of view for a waveguide‐based augmented reality display. The unique properties and benefits of switchable PVGs could open a new space in near‐eye display research, especially novel optical systems for augmented reality waveguide displays.