bluuebunny/crossref_metadata_2025 huggingface dataset:
Unveiling microscopic carrier loss mechanisms in 12% efficient Cu2ZnSnSe4 solar cells
Authors: Li Jianjun , Huang Jialiang , Ma Fajun , Sun Heng , Cong Jialin , Privat Karen , Webster Richard F. , Cheong Soshan , Yao Yin , Chin Robert Lee , Yuan Xiaojie , He Mingrui , Sun Kaiwen , Li Hui , Mai Yaohua , Hameiri Ziv , Ekins-Daukes Nicholas J. , Tilley Richard D. , Unold Thomas , Green Martin A. , Hao Xiaojing
Published: July 2022

Understanding carrier loss mechanisms at microscopic regions is imperative for the development of high-performance polycrystalline inorganic thin-film solar cells. Despite the progress achieved for kesterite, a promising environmentally benign and earth-abundant thin-film photovoltaic material, the microscopic carrier loss mechanisms and their impact on device performance remain largely unknown. Herein, we unveil these mechanisms in state-of-the-art Cu2ZnSnSe4 (CZTSe) solar cells using a framework that integrates multiple microscopic and macroscopic characterizations with three-dimensional device simulations. The results indicate the CZTSe films have a relatively long intragrain electron lifetime of 10–30 ns and small recombination losses through bandgap and/or electrostatic potential fluctuations. We identify that the effective minority carrier lifetime of CZTSe is dominated by a large grain boundary recombination velocity (~104 cm s−1), which is the major limiting factor of present device performance. These findings and the framework can greatly advance the research of kesterite and other emerging photovoltaic materials.
Systematic discovery of biomolecular condensate-specific protein phosphorylation
Authors: Sridharan Sindhuja , Hernandez-Armendariz Alberto , Kurzawa Nils , Potel Clement M. , Memon Danish , Beltrao Pedro , Bantscheff Marcus , Huber Wolfgang , Cuylen-Haering Sara , Savitski Mikhail M.
Published: July 2022

Reversible protein phosphorylation is an important mechanism for regulating (dis)assembly of biomolecular condensates. However, condensate-specific phosphosites remain largely unknown, thereby limiting our understanding of the underlying mechanisms. Here, we combine solubility proteome profiling with phosphoproteomics to quantitatively map several hundred phosphosites enriched in either soluble or condensate-bound protein subpopulations, including a subset of phosphosites modulating protein–RNA interactions. We show that multi-phosphorylation of the C-terminal disordered segment of heteronuclear ribonucleoprotein A1 (HNRNPA1), a key RNA-splicing factor, reduces its ability to locate to nuclear clusters. For nucleophosmin 1 (NPM1), an essential nucleolar protein, we show that phosphorylation of S254 and S260 is crucial for lowering its partitioning to the nucleolus and additional phosphorylation of distal sites enhances its retention in the nucleoplasm. These phosphorylation events decrease RNA and protein interactions of NPM1 to regulate its condensation. Our dataset is a rich resource for systematically uncovering the phosphoregulation of biomolecular condensates.
Intratumoral oncolytic herpes virus G47∆ for residual or recurrent glioblastoma: a phase 2 trial
Authors: Todo Tomoki , Ito Hirotaka , Ino Yasushi , Ohtsu Hiroshi , Ota Yasunori , Shibahara Junji , Tanaka Minoru
Published: July 2022

This investigator-initiated, phase 2, single-arm trial primarily assessed the efficacy of G47∆, a triple-mutated, third-generation oncolytic herpes simplex virus type 1, in 19 adult patients with residual or recurrent, supratentorial glioblastoma after radiation therapy and temozolomide (UMIN-CTR Clinical Trial Registry UMIN000015995). G47Δ was administered intratumorally and repeatedly for up to six doses. The primary endpoint of 1-yr survival rate after G47∆ initiation was 84.2% (95% confidence interval, 60.4–96.6; 16 of 19). The prespecified endpoint was met and the trial was terminated early. Regarding secondary endpoints, the median overall survival was 20.2 (16.8–23.6) months after G47∆ initiation and 28.8 (20.1–37.5) months from the initial surgery. The most common G47∆-related adverse event was fever (17 of 19) followed by vomiting, nausea, lymphocytopenia and leukopenia. On magnetic resonance imaging, enlargement of and contrast-enhancement clearing within the target lesion repeatedly occurred after each G47∆ administration, which was characteristic to this therapy. Thus, the best overall response in 2 yr was partial response in one patient and stable disease in 18 patients. Biopsies revealed increasing numbers of tumor-infiltrating CD4+/CD8+ lymphocytes and persistent low numbers of Foxp3+ cells. This study showed a survival benefit and good safety profile, which led to the approval of G47∆ as the first oncolytic virus product in Japan.
A quantum chemical molecular dynamics repository of solvated ions
Authors: Gregory Kasimir P. , Elliott Gareth R. , Wanless Erica J. , Webber Grant B. , Page Alister J.
Published: July 2022

The importance of ion-solvent interactions in predicting specific ion effects in contexts ranging from viral activity through to electrolyte viscosity cannot be underestimated. Moreover, investigations of specific ion effects in nonaqueous systems, highly relevant to battery technologies, biochemical systems and colloid science, are severely limited by data deficiency. Here, we report IonSolvR – a collection of more than 3,000 distinct nanosecond-scale ab initio molecular dynamics simulations of ions in aqueous and non-aqueous solvent environments at varying effective concentrations. Density functional tight binding (DFTB) is used to detail the solvation structure of up to 55 solutes in 28 different protic and aprotic solvents. DFTB is a fast quantum chemical method, and as such enables us to bridge the gap between efficient computational scaling and maintaining accuracy, while using an internally-consistent simulation technique. We validate the database against experimental data and provide guidance for accessing individual IonSolvR records.
Large-scale application of free energy perturbation calculations for antibody design
Authors: Zhu Fangqiang , Bourguet Feliza A. , Bennett William F. D. , Lau Edmond Y. , Arrildt Kathryn T. , Segelke Brent W. , Zemla Adam T. , Desautels Thomas A. , Faissol Daniel M.
Published: July 2022

Alchemical free energy perturbation (FEP) is a rigorous and powerful technique to calculate the free energy difference between distinct chemical systems. Here we report our implementation of automated large-scale FEP calculations, using the Amber software package, to facilitate antibody design and evaluation. In combination with Hamiltonian replica exchange, our FEP simulations aim to predict the effect of mutations on both the binding affinity and the structural stability. Importantly, we incorporate multiple strategies to faithfully estimate the statistical uncertainties in the FEP results. As a case study, we apply our protocols to systematically evaluate variants of the m396 antibody for their conformational stability and their binding affinity to the spike proteins of SARS-CoV-1 and SARS-CoV-2. By properly adjusting relevant parameters, the particle collapse problems in the FEP simulations are avoided. Furthermore, large statistical errors in a small fraction of the FEP calculations are effectively reduced by extending the sampling, such that acceptable statistical uncertainties are achieved for the vast majority of the cases with a modest total computational cost. Finally, our predicted conformational stability for the m396 variants is qualitatively consistent with the experimentally measured melting temperatures. Our work thus demonstrates the applicability of FEP in computational antibody design.
Interpreting models interpreting brain dynamics
Authors: Rahman Md. Mahfuzur , Mahmood Usman , Lewis Noah , Gazula Harshvardhan , Fedorov Alex , Fu Zening , Calhoun Vince D. , Plis Sergey M.
Published: July 2022

Brain dynamics are highly complex and yet hold the key to understanding brain function and dysfunction. The dynamics captured by resting-state functional magnetic resonance imaging data are noisy, high-dimensional, and not readily interpretable. The typical approach of reducing this data to low-dimensional features and focusing on the most predictive features comes with strong assumptions and can miss essential aspects of the underlying dynamics. In contrast, introspection of discriminatively trained deep learning models may uncover disorder-relevant elements of the signal at the level of individual time points and spatial locations. Yet, the difficulty of reliable training on high-dimensional low sample size datasets and the unclear relevance of the resulting predictive markers prevent the widespread use of deep learning in functional neuroimaging. In this work, we introduce a deep learning framework to learn from high-dimensional dynamical data while maintaining stable, ecologically valid interpretations. Results successfully demonstrate that the proposed framework enables learning the dynamics of resting-state fMRI directly from small data and capturing compact, stable interpretations of features predictive of function and dysfunction.
Three-dimensional dentoalveolar changes in open bite treatment in mixed dentition, spurs/posterior build-ups versus spurs alone: 1-year follow-up randomized clinical trial
Authors: Aliaga-Del Castillo Aron , Janson Guilherme , Vilanova Lorena , Cevidanes Lucia , Yatabe Marilia , Garib Daniela , Arriola-Guillén Luis Ernesto , Miranda Felicia , Massaro Camila , Bellini-Pereira Silvio Augusto , Ruellas Antonio Carlos
Published: July 2022

This randomized clinical trial aimed to compare the three-dimensional dentoalveolar maxillary changes after anterior open bite treatment with bonded spurs and build-ups versus bonded spurs alone. Patients from 7 to 11 years of age with anterior open bite were randomly allocated into two groups. Bonded spurs and posterior build-ups were used in the experimental group and only bonded spurs were used in the comparison group. The randomization sequence was generated at www.randomization.com. Opaque, sealed and sequentially numbered envelopes were part of the allocation concealment. Digital dental models were acquired before (T1) and after 12 months of treatment (T2) and de-identified for analysis purposes. Three-dimensional changes of maxillary permanent incisors and first molars were evaluated by means of T1 and T2 dental model superimposition. Landmark-based registration on the posterior teeth and registration on the palate using regions of interest were performed. T or Mann–Whitney U tests were used for intergroup comparisons (P < 0.05). Mean difference (MD) and 95% confidence interval (CI) were calculated. Twenty-four children (17 girls and 7 boys) were included in the experimental group (mean age 8.22 ± 1.06 years) and 25 children (14 girls and 11 boys) were included in the comparison group (mean age 8.30 ± 0.99 years). After 12 months of treatment, inferior displacements of maxillary incisors were similar in the experimental (1.55–2.92 mm) and comparison (1.40–2.65 mm) groups. Inferior displacement of the maxillary molars was also similar in both groups (MD: − 0.13 mm; 95% CI − 0.38, 0.12). The experimental and comparison groups showed medial and lateral displacements of the permanent first molars, respectively (MD, − 0.31 mm; 95% CI − 0.51, − 0.11). Lingual inclination of the permanent first molars were observed in the experimental group and buccal inclination in the comparison group (MD, − 2.16°; 95% CI − 3.72, − 0.60). Similar three-dimensional displacements of maxillary central and lateral incisors, and inferior displacements of maxillary permanent first molars were observed in both groups. Bonded spurs associated with posterior build-ups demonstrated some medial displacement and lingual inclination of the maxillary permanent first molars while opposite changes were noticed in the comparison group.

Trial registration: Clinicaltrials.gov; NCT03702881, date of registration: October 11, 2018.
Multi-task deep learning for glaucoma detection from color fundus images
Authors: Pascal Lucas , Perdomo Oscar J. , Bost Xavier , Huet Benoit , Otálora Sebastian , Zuluaga Maria A.
Published: July 2022

Glaucoma is an eye condition that leads to loss of vision and blindness if not diagnosed in time. Diagnosis requires human experts to estimate in a limited time subtle changes in the shape of the optic disc from retinal fundus images. Deep learning methods have been satisfactory in classifying and segmenting diseases in retinal fundus images, assisting in analyzing the increasing amount of images. Model training requires extensive annotations to achieve successful generalization, which can be highly problematic given the costly expert annotations. This work aims at designing and training a novel multi-task deep learning model that leverages the similarities of related eye-fundus tasks and measurements used in glaucoma diagnosis. The model simultaneously learns different segmentation and classification tasks, thus benefiting from their similarity. The evaluation of the method in a retinal fundus glaucoma challenge dataset, including 1200 retinal fundus images from different cameras and medical centers, obtained a $$96.76 \pm 0.96$$

96.76
±
0.96

AUC performance compared to an $$93.56 \pm 1.48$$

93.56
±
1.48

obtained by the same backbone network trained to detect glaucoma. Our approach outperforms other multi-task learning models, and its performance pairs with trained experts using $$~\sim 3.5$$

∼
3.5

times fewer parameters than training each task separately. The data and the code for reproducing our results are publicly available.
Liver diffusion-weighted MR imaging with L1-regularized iterative sensitivity encoding reconstruction based on single-shot echo-planar imaging: initial clinical experience
Authors: Bode Maike , Zhang Shuo , Terwolbeck Mark N. , Molavi Tabrizi Caroline , Sprenger Paul , Yoneyama Masami , Kraemer Nils A. , Kuhl Christiane K. , Barabasch Alexandra
Published: July 2022

To investigate whether combining L1-regularized iterative sensitivity encoding (SENSE) reconstruction and single-shot echo planar imaging (EPI) is useful in hepatic DWI. Single-shot EPI-DWI with L1-regularized iterative SENSE reconstruction (L1-DWI) and conventional parallel imaging-based reconstruction (conv-DWI) in liver MRI were compared in volunteers and patients. For the patient cohort, 75 subjects (60 ± 13 years) with 349 focal liver lesions (FLL) were included. Patient groups A and B were used to reduce acquisition time or improve spatial resolution, respectively. Image parameters were rated on a 5-point scale. The number of FLLs was recorded; in case of discrepancy, the reason for non-detectability was analyzed. In volunteers, higher signal-to-noise ratio (24.4 ± 5.6 vs. 12.2 ± 2.3, p < 0.001 at b = 0; 19.3 ± 2.8 vs. 9.8 ± 1.6, p < 0.001 at b = 800) and lower standard deviation of the apparent diffusion coefficient-values (0.17 vs. 0.20 mm2/s, p < 0.05) were found on L1-DWI compared to conv-DWI. In patients, image ratings were similar for all parameters except for “conspicuity of FLLs” which was rated significantly lower on L1-DWI vs. conv-DWI (4.7 ± 0.6 vs. 4.2 ± 0.9, p < 0.05) in group A. In five patients, 11/349 FLLs were not detectable on L1-DWI, but on conv-DWI. L1-regularized iterative reconstruction of single-shot EPI DWI can accelerate image acquisition or improve spatial resolution. However, our finding that FLLs were non-detectable on L1-DWI warrants further research.
Robust corrosion guard, mechanical and UV aging properties of metal complex/epoxy hybrid composite coating for C-steel applications
Authors: Fadl A. M. , Sadeek S. A. , Magdy Laila , Abdou M. I.
Published: July 2022

Incorporation of novel-prepared metal–organic complexes as crosslinking accelerators for multifunctional epoxy was on top of interest by coating formulators. The present work investigated the loading of mixed ligand metal complexes (Zr(IV) and Cu(II)) of metformin (MF) and 2.2′bipyridine (Bipy) against the free ligands as crosslinking modifiers via some epoxy coating formulations to assess their superb performances on the C-steel surface. Zr(IV) and Cu(II) demonstrated the minor energy gap (∆E) values at 0.190 au compared to free MF and Bipy according to the calculated energy values, and this behavior reflected their enhanced properties via epoxy coating applications. EIS measurements using high saline formation water as a corrosive medium were performed and offered that PA-DGEBA/MC-Cu coated film showed the superior resistance values (Rct = 940 and Rc = 930 kΩ cm2). The accelerated corrosion salt spray experiment clarified that PA-DGEBA/MC-Cu coating achieved the least corrosion rate at 0.00049 mm/y and exhibited the highest protection efficiency of 99.84%. SEM/EDX combination survey affirmed the protective performance of the checked coatings. AFM microanalysis confirmed that surface-treated Cu(II) coating displayed the smoothest film surface with complete curing. Mechanical durability properties were evaluated and the obtained results illustrated that pull-off adhesion for PA-DGEBA/MC-Cu coated film fulfilled the highest adhesion strength at 6.3 MPa, the best bend character at 77, and the maximum impact resistance at 59.7 J. UV immovability trial was performed at 10 irradiance and 80 h duration. PA-DGEBA/MC-Cu coated film displayed the highest resistance to UV irradiance with blistering (#8 size and few frequencies) in addition to offering a minor gloss variation and matt properties.
All organic homojunction PEDOT:PSS p–n diode
Authors: Aboulhadeed S. , Ghali M. , Ayad M. M.
Published: July 2022

It is widely known that poly(3,4-ethylene dioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) is only a p-type material, and thus there is a challenge to fabricating all PEDOT:PSS based p–n device. Here, and for the first time, we introduce a new homojunction p–n diode device based solely on PEDOT:PSS thin films. The diode shows a nonlinear I–V behavior with a rectification ratio of 3 and a turn-on voltage ~ 1.4 V.
Electromagnetic characterization of mirror symmetric resonator based metamaterial and frequency tuning: a dielectric based multilayer approach
Authors: Moniruzzaman Md. , Islam Mohammad Tariqul , Samsuzzaman Md , Alharbi Abdullah G. , Soliman Mohamed S. , Misran Norbahiah , Islam Md. Shabiul
Published: July 2022

This article presents a novel metamaterial (MTM) with a mirror symmetric resonator that exhibits multiple resonances of transmission coefficient covering the L, S, C, and X bands. The resonating patch is constructed on a low-loss Rogers (RT5880) substrate with a dimension of 20 × 20 × 1.575 mm3. It consists of four equal quartiles with each quartile made with interconnected split-ring resonators; the quartiles are in mirror symmetry with each other. The proposed MTM exhibits resonances at 1.98 GHz, 3.67 GHz, 4.74 GHz, 8.38 GHz, and 10.8 GHz, and electromagnetic characterization is performed through studies of permittivity, permeability, refractive index, and impedances. Power analysis is also performed, and the effect of polarized incident waves is studied. An electromagnetic characterization study reveals that the proposed MTM shows negative permittivity with near-zero permeability and refractive index. It also reveals very little power consumption in the vicinity of the resonances. The dielectric-based frequency tuning is studied by using different dielectric layers over the patch that provides good frequency tuning; this method provides flexibility for adjusting the resonance frequencies in accordance with the application demand. The measured result of the proposed unit cell with the dielectric layer is extracted using a vector network analyzer, and the results exhibit good similarity with the simulated ones. The above-mentioned properties, along with a good effective medium ratio (EMR) of 7.57 indicate that this MTM is suitable for frequency selective applications in microwave devices such as antenna performance improvement and sensing.
Pigmentary lesions in eyes with rhegmatogenous retinal detachment with flap tears: a retrospective observational study
Authors: Ideyama Midori , Muraoka Yuki , Kawai Kentaro , Ishikura Masaharu , Kadomoto Shin , Nishigori Naomi , Kameda Takanori , Ishihara Kenji , Miyata Manabu , Miyake Masahiro , Murakami Tomoaki , Ooto Sotaro , Tsujikawa Akitaka
Published: July 2022

We included 97 patients with unilateral rhegmatogenous retinal detachment (RRD) with posterior vitreous detachment who underwent vitrectomy, and examined pigmentary lesion (PL) characteristics around the sites of original tears using pre- and postoperative ultra-widefield scanning light ophthalmoscopy, green light fundus autofluorescence (FAF) imaging, and intraoperative digital video. If PL did not involve RRD, we used OCT to preoperatively assess any pathologic changes to the lesion. A total of 116 retinal tears (mean count, 1.2 ± 0.5; range, 1–4 per eye) were observed in the detached retina. Overall, 102 (88%), 63 (54%), 14 (12%), and 25 (22%) tears were accompanied by lattice degeneration (LD) or PL, both LD and PL, only LD, and only PL, respectively. In green FAF images, LD showed normal to mild-hyper fluorescence, whereas all PL showed hypofluorescence. On OCT, PL were located at the RPE level, while choroid abnormalities were unclear. In the retinal areas of 22 eyes, which were not affected by RRD, we observed PL without retinal tears; some were accompanied by vitreous traction and tractional retinal detachment. Pre-, intra-, and post-operative assessments of original flap tears suggested that PL might be a risk factor for RRD, developing alongside or separately from LD.
PARP1-SNAI2 transcription axis drives resistance to PARP inhibitor, Talazoparib
Authors: Ding Xia , Zhu Zhou , Lapek John , McMillan Elizabeth A. , Zhang Alexander , Chung Chi-Yeh , Dubbury Sara , Lapira Jennifer , Firdaus Sarah , Kang Xiaolin , Gao Jingjin , Oyer Jon , Chionis John , Rollins Robert A. , Li Lianjie , Niessen Sherry , Bagrodia Shubha , Zhang Lianglin , VanArsdale Todd
Published: July 2022

The synthetic lethal association between BRCA deficiency and poly (ADP-ribose) polymerase (PARP) inhibition supports PARP inhibitor (PARPi) clinical efficacy in BRCA-mutated tumors. PARPis also demonstrate activity in non-BRCA mutated tumors presumably through induction of PARP1-DNA trapping. Despite pronounced clinical response, therapeutic resistance to PARPis inevitably develops. An abundance of knowledge has been built around resistance mechanisms in BRCA-mutated tumors, however, parallel understanding in non-BRCA mutated settings remains insufficient. In this study, we find a strong correlation between the epithelial-mesenchymal transition (EMT) signature and resistance to a clinical PARPi, Talazoparib, in non-BRCA mutated tumor cells. Genetic profiling demonstrates that SNAI2, a master EMT transcription factor, is transcriptionally induced by Talazoparib treatment or PARP1 depletion and this induction is partially responsible for the emerging resistance. Mechanistically, we find that the PARP1 protein directly binds to SNAI2 gene promoter and suppresses its transcription. Talazoparib treatment or PARP1 depletion lifts PARP1-mediated suppression and increases chromatin accessibility around SNAI2 promoters, thus driving SNAI2 transcription and drug resistance. We also find that depletion of the chromatin remodeler CHD1L suppresses SNAI2 expression and reverts acquired resistance to Talazoparib. The PARP1/CHD1L/SNAI2 transcription axis might be therapeutically targeted to re-sensitize Talazoparib in non-BRCA mutated tumors.
In-situ hydrothermal synthesis of CNT decorated by nano ZnS/CuO for simultaneous removal of acid food dyes from binary water samples
Authors: Sharifpour Ebrahim , Arabkhani Payam , Sadegh Fatemeh , Mousavizadeh Ali , Asfaram Arash
Published: July 2022

The zinc sulfide/copper oxide–carbon nanotube nanocomposite (ZnS/CuO-CNT) was fabricated by using an in-situ hydrothermal synthesis method and was used for simultaneous ultrasound-assisted adsorptive removal of a binary mixture of ponceau 4R (P4R) and tartrazine (TA) acid food dyes from contaminated water. The as-synthesized ZnS/CuO-CNT was described by FESEM, XRD, FTIR, BET, and zeta potential analysis. The results included nested network morphology, high purity with the crystalline structure, oxygen-containing functional groups, mesoporous/micropores texture with cumulate interspace, specific surface area of 106.54 m2 g-1, and zero-point charge (pHzpc) of 5.3. In adsorption experiments, the simultaneous effect of main independent variables, including solution pH, adsorbent dosage, concentration of each dye, temperature, and sonication time on the removal efficiency of dyes was studied systematically using the central composite design (CCD) method based on response surface methodology (RSM). Also, the second-order multivariate equation was presented to determine the relationship between the removal efficiencies of P4R and AT dyes and six independent effective variables. The high correlation coefficient (R2 ≥ 0.99), significant p-value (P < 0.0001), and non-significant lack-of-fit (P > 0.05) showed the high accuracy, and validity of the proposed model to predict the removal efficiency of P4R and TA acid food dyes. The experimental removal efficiency for P4R and TA dyes was found to be 98.45 ± 2.54, and 99.21 ± 2.23, respectively. Also, the Langmuir maximum adsorption capacity for P4R and TA dyes was determined to be 190.1 mg g-1 and 183.5 mg g-1, respectively. Finally, the adsorbent's reusability was tested for six periods and could be reused repeatedly without significant reduction in adsorption performance.
Neural specialization to human faces at the age of 7 months
Authors: Yrttiaho Santeri , Kylliäinen Anneli , Parviainen Tiina , Peltola Mikko J.
Published: July 2022

Sensitivity to human faces has been suggested to be an early emerging capacity that promotes social interaction. However, the developmental processes that lead to cortical specialization to faces has remained unclear. The current study investigated both cortical sensitivity and categorical specificity through event-related potentials (ERPs) previously implicated in face processing in 7-month-old infants (N290) and adults (N170). Using a category-specific repetition/adaptation paradigm, cortical specificity to human faces, or control stimuli (cat faces), was operationalized as changes in ERP amplitude between conditions where a face probe was alternated with categorically similar or dissimilar adaptors. In adults, increased N170 for human vs. cat faces and category-specific release from adaptation for face probes alternated with cat adaptors was found. In infants, a larger N290 was found for cat vs. human probes. Category-specific repetition effects were also found in infant N290 and the P1-N290 peak-to-peak response where latter indicated category-specific release from adaptation for human face probes resembling that found in adults. The results suggest cortical specificity to human faces during the first year of life. Encoding of unfamiliar cat stimuli might explain N290 amplification found in infants.
Scattering of guided waves propagating through pipe bends based on normal mode expansion
Authors: Wu Wenjun , Dong Hao , Zhang Shangyu
Published: July 2022

The scattering of guided waves propagating through pipe bends is studied by means of normal mode expansion. First, the bi-orthogonality relationship for normal modes in pipe bends is derived, based on which the displacement and stress fields at the interfaces between the straight and curved parts are expanded with the normal modes in both parts. Then, based on the displacement and stress field continuity principle, the scattering problem is regarded as an eigenproblem of a transfer matrix, the solution of which gives the mode conversions at the interfaces. A case study is presented of the low-frequency longitudinal mode incident on a pipe bend, and it is found that the dominant mode conversions are L(0,1) reflection and mode conversion from L(0,1) to F(1,1). Finite element simulations and experiments are also conducted. L(0,1) bend reflection and mode-converted F(1,1) are clearly observed, which agrees well with the theoretical predictions.
Influence of differences in bone morphology on the distribution patterns of subchondral bone density across the trapeziometacarpal joint
Authors: Tsukuda Yukinori , Matsui Yuichiro , Endo Kaori , Matsui Yuki , Kawamura Daisuke , Iwasaki Norimasa
Published: July 2022

We aimed to clarify the effects of morphological patterns of the trapezium and first metacarpal on the distribution of subchondral bone density across the articular surface of the trapeziometacarpal (TMC) joint using computed tomography osteoabsorptiometry. Thirty-three patients with normal TMC joints were evaluated. The percentages of the high-density areas in the radial-dorsal and ulnar-volar regions of the trapezium were significantly higher than that in the ulnar-dorsal region, and that of the ulnar-dorsal region of the first metacarpal was significantly lower than in the other three regions. The percentage of the high-density area of the radial-dorsal region of the trapezium and trapezial inclination (TI) showed a significant positive correlation, and the percentages of the high-density areas in the ulnar-dorsal and ulnar-volar regions had significant negative correlations with TI at the articular surface of the first metacarpal. These results indicate that bony morphologic differences in the trapezium affect the distribution pattern of subchondral bone density through the TMC joint.
Beovu, but not Lucentis impairs the function of the barrier formed by retinal endothelial cells in vitro
Authors: Deissler Heidrun L. , Busch Catharina , Wolf Armin , Rehak Matus
Published: July 2022

Because rare, but severe adverse effects, i.e. retinal vasculitis or retinal vein occlusion, have been observed after repetitive intravitreal injections of VEGF-A-binding single-chain variable fragment brolucizumab (Beovu), we investigated its possible impact on the barrier formed by immortalized bovine retinal endothelial cells (iBREC) in comparison to that of the VEGF-A-binding Fab fragment ranibizumab (Lucentis). As a measure of stability of the barrier formed by a confluent monolayer of iBREC, we determined the cell index over seven days by continuous electric cell-substrate impedance measurements: Beovu but not Lucentis indeed significantly lowered the cell index, evident about 1.5 days after its addition, pointing to barrier impairment. Early after addition of Beovu, amounts of the integrins α5 and β1—subunits of the fibronectin receptor—had changed in opposite ways, suggesting an effect on cell adhesion due to hindered dimer formation. After exposure for eight days to Beovu, levels of claudin-1—an essential part of the iBREC barrier—were significantly lower, less claudin-1 was located at the plasma membrane after exposure to the VEGF-A antagonist for five days. Beovu did not induce secretion of inflammatory cytokines or VEGF-A. Interestingly, polysorbate-80—component of Beovu—but not polysorbate-20—in Lucentis—slightly, but significantly lowered the cell index, also associated with reduced claudin-1 expression. In summary, our results indicate that Beovu changes the behavior of retinal endothelial cells, thus providing an alternative “non-immunological” explanation for the most relevant of observed side effects.
Synthesis of novel MoWO4 with ZnO nanoflowers on multi-walled carbon nanotubes for counter electrode application in dye-sensitized solar cells
Authors: Areerob Yonrapach , Hamontree Chaowalit , Sricharoen Phitchan , Limchoowong Nunticha , Nijpanich Supinya , Nachaithong Theeranuch , Oh Won-Chun , Pattarith Kongsak
Published: July 2022

Novel MoWO4 with ZnO nanoflowers was synthesized on multi-walled carbon nanotubes (MW-Z@MWCNTs) through a simple hydrothermal method, and this unique structure was applied as a counter electrode (CE) for dye-sensitized solar cells (DSSC) for the first time. The synergetic effect of ZnO nanoflowers and MoWO4 on MWCNTs was systematically investigated by different techniques. The amount of MWCNTs was optimized to achieve the best DSSC performance. It was found that the 1.5% MW-Z@MWCNTs composite structure had the highest power conversion efficiency of 9.96%, which is greater than that of traditional Pt CE. Therefore, MW-Z@MWCNTs-based CE can be used to replace traditional Pt-based electrodes in the future.
A new metal-free benzorhodol-based photoluminophore selective for carbon monoxide detection applicable in both in vitro and in vivo bioimaging
Authors: Ahmmed Ejaj , Sarkar Debanjan , Mondal Asit , Saha Nimai Chandra , Bhattacharyya Sankar , Chattopadhyay Pabitra
Published: July 2022

A new water-soluble benzorhodol-based non-fluorescent probe (DEB-CO) is useful in the selective detection of CO in vitro and in vivo tracing in mice and living cells without any assistance of metal ions.
Improving the performance of QSEDLCs by modulating the properties of electrolytes from bulk to interfaces
Authors: Xu Siyuan , Liu Guangming
Published: July 2022

A polyzwitterion, salt mixture, and organic solvent layer not only play respective roles in, but also exhibit a cooperative effect on the performance of supercapacitors.
A classical [V10O28]6− anion templated high-nuclearity silver thiolate cluster
Authors: Li Li , Zhu Yanjie , Han Baoliang , Wang Qiongyi , Zheng Luming , Feng Lei , Sun Di , Wang Zhi
Published: July 2022

The largest known polyoxovanadate-templated silver nanocluster (Ag50) was synthesized, and the box-like {V10O28@Ag50} structure displays the geometric inheritance from the internal decavanadate to the silver skeleton.
Periodate anions as a halogen bond donor: formation of anion⋯anion dimers and other adducts
Authors: Calabrese Miriam , Pizzi Andrea , Daolio Andrea , Frontera Antonio , Resnati Giuseppe
Published: July 2022

Crystallographic studies and theoretical calculations show that the iodine of periodate anions forms, in the solid state, short, almost linear, and attractive contacts with neutral and anionic donors of electron density.
Velocity map images from surface-hopping; reactive scattering of OH (2Σ+) + H2 (1Σ+g)
Authors: Robertson Christopher , Paterson Martin J.
Published: July 2022

We study OH(Σ) + H2 → H2O(X) + H reactive scattering using two potential energy models found in the literature.
Deep-breathing Fe-doped superstructure modified by polyethyleneimine as oxygen reduction electrocatalysts for Zn–air batteries
Authors: Li Yang , Liu Jun , Zheng Lingcheng , Zhang Yanyan , Zhou Wenhan , Shi Kejian , Xu Haiyu , Gao Juan
Published: July 2022

The development of economical, robust and highly active non-precious metal oxygen reduction reaction (ORR) electrocatalysts to replace precious metal catalysts is crucial for the widespread applications of metal–air batteries.
Charge transfer modulation in charge transfer co-crystals driven by crystal structure morphology
Authors: Solano Federica , Inaudi Paolo , Abollino Ornella , Giacomino Agnese , Chiesa Mario , Salvadori Enrico , Kociok-Kohn Gabriele , da Como Enrico , Salzillo Tommaso , Fontanesi Claudio
Published: July 2022

The electronic properties of a charge-transfer semiconducting organic co-crystal, perylene: 2,3,5,6-tetrafluoro-7,7,8,8 tetracyanoquinodimethane (PE, donor (D) : F4, acceptor (A)) in its 3 : 2 stoichiometry, are experimentally and theoretically studied.
Charge-transfer plasmons of complex nanoparticle arrays connected by conductive molecular bridges
Authors: Fedorov Aleksandr S. , Visotin Maxim A. , Eremkin Egor V. , Krasnov Pavel O. , Ågren Hans , Polyutov Sergey P.
Published: July 2022

Charge-transfer plasmons in complexes of metal nanoparticles bridged by conductive molecular linkers are analyzed using molecular dynamics. The results can be used in practice, especially in the field of biosensors and nanoswitches.
Study of the electrochemical betanidin oxidation path using computational methods
Authors: Gavilán-Arriazu Edgardo Maximiliano , Rodriguez Sergio A.
Published: July 2022

Betalains can be used in the food, drug, and cosmetic industries and have shown their bioactive potential.
Microfabrication of peptide self-assemblies: inspired by nature towards applications
Authors: Zhang Jiahao , Wang Yancheng , Rodriguez Brian J. , Yang Rusen , Yu Bin , Mei Deqing , Li Junbai , Tao Kai , Gazit Ehud
Published: July 2022

In this review, the development of microfabrication of peptide self-assemblies, including methodologies along with the diverse properties and applications of the engineered large-scale, highly-ordered peptide arrays, are summarized.
Remarkably improved photocatalytic hydrogen evolution performance of crystalline TiO2 nanobelts hydrogenated at atmospheric pressure with the assistance of hydrogen spillover
Authors: Zou Longhua , Zhu Yingming , Hu Zhenpeng , Cao Xingzhong , Cen Wanglai
Published: July 2022

The enhancement of surface defects and suppression of bulk defects during hydrogenation are helpful to the separation of e−–h+ pairs to boost the photocatalytic HER performance.
Optimal design and integration of decentralized electrochemical energy storage with renewables and fossil plants
Authors: Zantye Manali S. , Gandhi Akhilesh , Wang Yifan , Vudata Sai Pushpitha , Bhattacharyya Debangsu , Hasan M. M. Faruque
Published: July 2022

The integration of battery storage and renewable energy with existing fossil power plants is a cost-effective strategy to counter renewable intermittency and reduce fossil-based CO2 emissions to achieve reliable and sustainable energy generation.
Achieving tricolor luminescence switching from a stimuli-responsive luminophore based on a bisarylic methanone derivative
Authors: Feng Xiucun , Zhou Ningning , Zhou Hongke , Song Fuhua , Fu Shengjie , Zhang Weidong , Liu Xingliang , Xu Defang
Published: July 2022

A new, D–A type bisarylic methanone π-architecture DBF-BZ-TPA with highly distorted molecular conformations exhibits a unique ICT effect, intense solid-state fluorescence, and high-contrast and tricolor luminescence switching.
An efficient hydrogen evolution photocatalyst of Rh@Cr2O3-loaded PbMoO4 twenty-six facet polyhedrons
Authors: Zhang Jing , Li Chunlei , Jin Xingzhi , Zheng Yi
Published: July 2022

Shape anisotropic semiconductors are advanced catalysts for resolving energy crises.
Silicon micron cages derived from a halloysite nanotube precursor and aluminum sacrificial template in molten AlCl3 as an anode for lithium-ion batteries
Authors: Li Bo , Chuan Xiuyun , Chen Shunpeng , Liu Fangfang , Li Xingguo
Published: July 2022

(1) Silicon micron cages (SMCs) was synthesized using natural halloysite as precursor. (2) The electrochemical performance of SMCs as anode materials of lithium-ion batteries can be improved for the micron cage structure.
Feasibility study of Mg storage in a bilayer silicene anode via application of an external electric field
Authors: Ahsan Sumaiyatul , Rauf Abrar , Taufique M. F. N. , Al Jame Hasan , Sarker Saugata , Nishat Sadiq Shahriyar , Islam Md Tohidul , Islam Azmain Faek , Jani Md Rafsun , Islam Md Shafiqul , Shorowordi Kazi Md , Ahmed Saquib
Published: July 2022

With the goal of developing a Si-based anode for Mg-ion batteries (MIBs), classical Molecular Dynamics (MD) was utilized in investigating the intercalation of a Mg2+ ion under an external electric field (E-field) in a 2D bilayer silicene anode (BSA).
Profiling of in vivo, in vitro and reactive zorifertinib metabolites using liquid chromatography ion trap mass spectrometry
Authors: Al-Shakliah Nasser S. , Kadi Adnan A. , Aljohar Haya I. , AlRabiah Haitham , Attwa Mohamed W.
Published: July 2022

Six in vitro phase I metabolites, three in vitro phase II metabolites, seven reactive intermediates (four GSH conjugates and three cyano adducts), six in vivo phase I and three in vivo phase II metabolites of ZFB were detected by LC-IT-MS.
Facile preparation of antibacterial hydrogel with multi-functions based on carboxymethyl chitosan and oligomeric procyanidin
Authors: He Yuanmeng , Guo Shen , Chang Rong , Zhang Dan , Ren Yikun , Guan Fangxia , Yao Minghao
Published: July 2022

An injectable, self-healing, adhesive, and antibacterial CMCS/OPC hydrogel based on carboxymethyl chitosan (CMCS) and oligomeric procyanidin (OPC) was fabricated and characterized.
A novel observation platform for determining the micro-dispersion performance in practical reaction systems
Authors: Song Jing , Du Chencan , Wang Junjie , Cui Yongjin , Wang Yujun , Deng Jian , Luo Guangsheng
Published: July 2022

A novel observation platform by placing the downstream observation window vertically has been constructed, and the actual micro-dispersion state can be exactly reflected in the observation window.
Rhodium diamidobenzene complexes: a tale of different substituents on the diamidobenzene ligand
Authors: Suhr Simon , Walter Robert , Beerhues Julia , Albold Uta , Sarkar Biprajit
Published: July 2022

Diamidobenzene ligands are versatile platforms in organometallic Rh-chemistry. They allow the isolation of tunable mononuclear ate-complexes, and the formation of a unprecedented homobimetallic, heterovalent complex.
Wicking fingering in electrospun membranes
Authors: Fischer Robert , Schoeller Jean , Rossi René M. , Derome Dominique , Carmeliet Jan
Published: July 2022

Pronounced fingering of the waterfront is observed and modeled for in-plane wicking in thin, aligned electrospun fibrous membranes.
Ultra-robust, highly proton-conductive polymer carbon dot membranes through bioinspired complexation
Authors: Shi Benbing , Pang Xiao , Wu Hong , Shen Jianliang , Guan Jingyuan , Wang Xiaoyao , Fan Chunyang , Cao Li , Zhu Tianhao , Yin Zhuoyu , Kong Yan , Liu Yiqin , Wang Sijia , Jiang Zhongyi
Published: July 2022

Polymer carbon dot membranes prepared through bioinspired complexation for robust structure and high proton conductivity.
Thein situformation of defective CoOOH catalysts from semi-oxidized Co for alkaline oxygen evolution reaction
Authors: Wang Lan , Pan Ya , Wu Dan , Liu Xiaokang , Cao Linlin , Zhang Wei , Chen Honglei , Liu Tong , Liu Dong , Chen Tao , Ding Tao , Wang Yi , Ding Chenglong , Kang Caitao , Li Changli , He Jingfu , Yao Tao
Published: July 2022

Semi-oxidized Co pre-catalysts are oxidized and self-assembled into defective CoOOH with a much higher O vacancy density during the OER, benefiting the bonding of oxygen species on the catalyst surface and promoting the catalytic activity.
Self-assembly of biomass-based hybrid hydrogel electrode for an additive-free flexible supercapacitor
Authors: Wu Qiong , Jiang Chen , Zhang Shouyun , Yu Shitao , Huang Lang
Published: July 2022

Lignin-rich black liquor produced from paper-making industries causes severe eco-issues, and how to make full use of it to gain an environmental and economic balance has been gaining increasing attention.
MXene/ZnO flexible freestanding film as a dendrite-free support in lithium metal batteries
Authors: Shen Yuxi , Pu Ziyan , Zhang Yaru , Chen Yao , Zhang Heng , Wang Nating , Qiu Hailong , Li Yueming
Published: July 2022

A flexible freestanding MXene/ZnO film is fabricated by simple vacuum filtration, and the fabricated film in lithium metal batteries promotes the nucleation of Li and induces a dendrite-free Li deposition, resulting in an improved cell performance.
Achieving high-rate and high-capacity Zn metal anodesviaa three-in-one carbon protective layer
Authors: Qin Hongyu , Kuang Wei , Huang Dan , Zhang Xiaoyan , Liu Jian , Yi Li , Shen Fang , Wei Zongwu , Huang Yanping , Xu Jing , He Huibing
Published: July 2022

A three-in-one carbon protective layer is introduced on a Zn anode (3D-NC@Zn) for high-quality Zn deposition. The 3D-NC@Zn electrode exhibits long-term stability over 1300 h at both high rate (10 mA cm−2, 1 mA h cm−2) and high capacity (1 mA cm−2, 10 mA h cm−2).
Multifunctional conjugated molecules combined with electrospun CuCoP/carbon nanofibers as a modifier of the Pt counter electrode for dye-sensitized solar cells
Authors: Lin Fang-Sian , Sakthivel Mani , Fan Miao-Syuan , Wu Chien-Hsin , Fong Guan-Lun , Lin Jiang-Jen , Jeng Ru-Jong , Ho Kuo-Chuan
Published: July 2022

A multifunctional modified layer (DPPTPTA@CuCoP/CNF) was used for the first time in dye-sensitized solar cells, which achieved a conversion efficiency of 25.44 at 6000 lux and ensured long-term stability (90% retention after 3000 h).
High-performance pressure/strain sensors featuring a conductive network constructed from c-MWCNTs and nanospheres for human activity monitoring
Authors: Cheng Haonan , Yang Chen , Zhang Ningyi , Yin Yunjie , Wang Chaoxia
Published: July 2022

Human activity monitoring is a complex endeavor, which mainly depends on pressure or strain sensors.
Dual-mode surface-enhanced Raman scattering sensors assembled from graphene plasmonic nanoresonator on photoactive SOI
Authors: Zhang Shan , Zhang Guanglin , Liu Zhiduo , He Zhengyi , Feng Xiaoqiang , Yang Siwei , Ding Guqiao , Wang Gang , Wang Yongqiang
Published: July 2022

The nanocavity construction of the 3D-graphene combines with the optical cavity system of the SOI to improve the interaction between the incident light and 3D-graphene. These properties enhance electronic interactions, thereon improving chemical/charge transfer effects in heterojunctions.
Ageing evaluation of cable insulations subjected to radiation ageing: Application of principal component analyses to Fourier Transform Infra‐Red and dielectric spectroscopy
Authors: Suraci Simone Vincenzo , Amat Sandrine , Hippolyte Lea , Malechaux Astrid , Fabiani Davide , Le Gall Claire , Juan Océane , Dupuy Nathalie
Published: July 2022

The evolution of properties of crosslinked polyethylene (XLPE)‐based insulating materials under radio‐chemical ageing conditions is presented and discussed. In total, seven different polymer compounds were tested, characterised by an increasing quantity of additives, for example, antioxidants (AOs) and fillers as flame retardants. Samples were analysed using different testing techniques, that is, Fourier Transform Infra‐Red and dielectric spectroscopy. This allowed a broad characterisation of the polymer, bringing to good correlations between the arising of new chemical groups caused by ageing and the modifications on the complex permittivity. Phenol‐based AOs are found to be the most efficient in terms of protection against oxidation. On the contrary, flame retardants are concluded not to have any impact on the material ageing. Acquired data were then treated using the principal component analysis. The data treatment successfully distinguished the material composition (with and without additives) and the ageing environments. The results confirm the relevance of this analysis in understanding the impact of irradiation on the chemical and functional properties of the polymer materials studied.
Une méthode d'interprétation des essais effectués sur site sur des boulons à ancrage réparti sollicités en traction
Authors: Serratrice Jean-François
Published: July 2022

Les boulons à ancrage réparti sont utilisés dans le domaine des soutènements et des renforcements des sols et des roches. Leur comportement s'étudie au moyen d'essais d'arrachement ou par auscultation de boulons instrumentés. Une méthode d'interprétation de ces différents types d'essais est proposée. Fondée sur un calcul au module de réaction, elle met en jeu un boulon pris individuellement et sollicité dans sa direction axiale. La méthode a été appliquée à l’interprétation d'une dizaine d'essais d'arrachement et de cinq boulons radiaux instrumentés mis en place en tunnel ou dans une paroi clouée, d'après des données issues de la littérature. L'article présente une partie des résultats de cette étude en commençant par un aperçu des travaux de recherche effectués dans ce domaine. La méthode de calcul est ensuite présentée. Les exemples d'interprétation de deux essais d'arrachement sont commentés alors, pour lesquels trois lois de réaction sont mises en œuvre (bilinéaire, exponentielle et trilinéaire). Deux procédures sont proposées pour effectuer le choix de la loi de réaction et l'identification de ses paramètres. La méthode a été appliquée ensuite à un boulon radial instrumenté mis en place en tunnel.