bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractThis 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

AbstractThe 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

AbstractAlchemical 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

AbstractBrain 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

AbstractThis 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

AbstractGlaucoma 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

AbstractTo 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

AbstractIncorporation 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

AbstractIt 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

AbstractThis 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

AbstractWe 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

AbstractThe 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

AbstractThe 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

AbstractSensitivity 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.