bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prediction of Micronucleus Assay Outcome using in Vivo Activity Data and Molecular Structure Features
Authors: Ramesh Priyanka , V Shanthi 
Published: July 2021

Abstract
In vivo micronucleus assay is the widely used genotoxic test to determine the extent of chromosomal aberrations caused by the chemical compounds in human beings, which plays a significant role in the drug discovery paradigm. To reduce the uncertainties of the in vivo experiments and the expenses, we intended to develop novel machine learning-based tools to predict the toxicity of the compounds with high precision. A total of 472 compounds with known toxicity information were retrieved from the PubChem Bioassay database and literature. The fingerprints and descriptors of the compounds were generated using PaDEL and ChemSAR for the analysis. The performance of the models was assessed using three tires of evaluation strategies such as 5-fold, 10-fold, and external validation. The accuracy of the models during external validation lay between 0.57 and 0.86. Note that a combination of fingerprints and random forest showed reliable predictive capability. In essence, structural alerts causing genotoxicity of the compounds were identified using the structural activity relationship model of SARpy tool. This study highlights that the structural alerts such as chlorocyclohexane and trimethylamine are likely to be the leading cause of toxicity in humans, further validated using the Toxtree application. Indeed, the results from our study will assist in scrutinizing the genotoxicity of the compounds with high precision by replacing extensive sacrifice of animal models.
Forest Fire Detection System using Wireless Sensor Networks and Machine Learning
Authors: Dampage Udaya , Bandaranayake D. M. L. N. , Wanasinghe W. M.R. S. , Kottahachchi K. O. , Jayasanka W. A. B. 
Published: July 2021

Abstract
Forest fires have become a major threat around the world, causing many negative impacts on human beings and forest ecosystems. Even though rapid climatic changes arising from high environmental pollution, greenhouse effects, etc. have caused this situation, a higher percentage of forest fires occur due to human activities. Therefore, to minimize the destruction caused by forest fires, the need to detect forest fires at their initial stage is needed. This paper proposes a model that can be used to detect forest fires at the initial stage using a wireless sensor network. Furthermore, to acquire more accurate fire detection, a machine learning regression model is proposed. Moreover, thorough attention is given to sensor node design and node placement in the forest to be fitted in the forest environment to minimize the damage and harmful effects caused by wild animals, weather conditions, etc. to the system.
Cross-Phase Modulation Based Ultra-Flat 90-Line Optical Frequency Comb Generation
Authors: Sharma Vishal , singh surinder , Bhatia Lovkesh , Anashkina Elena A. , Andrianov Alexey V. 
Published: July 2021

Abstract
This paper proposed an approach to design an evenly spaced, 1.8 THz spectrally broad and 1.6 dB flat optical frequency comb (OFC) by exploiting the cross-phase modulation in highly nonlinear fiber. The OFC is realized by controlling the phase of the signals in two parallelly placed highly nonlinear fibers. The frequency and line spacing of the OFC can be tuned by simply varying the periodicity and central wavelength of input electrical and optical signal, respectively.
WITHDRAWN: Machine Learning Based Power Estimation for CMOS VLSI Circuits
Authors: Govindaraj V. , Arunadevi B. 
Published: July 2021

Abstract
Nowdays, machine learning (ML) algorithms are receiving massive attention in most of the engineering application since it has capability in complex systems modelling using historical data. Estimation of power for CMOS VLSI circuit using various circuit attributes is proposed using passive machine learning based technique. The proposed method uses supervised learning method which provides a fast and accurate estimation of power without affecting the accuracy of the system. Power estimation using random forest algorithm is relatively new. Accurate estimation of power of CMOS VLSI circuits is estimated by using random forest model which is optimized and tuned by using multi-objective NSGA-II algorithm. It is inferred from the experimental results testing error varies from 1.4 percent to 6.8 percent and in terms of and Mean Square Error is 1.46e-06 in random forest method when compared to BPNN. Statistical estimation like coefficient of determination (𝑅) and Root Mean Square Error (RMSE) are done and it is proven that random Forest is best choice for power estimation of CMOS VLSI circuits with high coefficient of determination of 0.99938. and low RMSE of 0.000116.
How to impart scientific knowledge and writing skills? Digital education in the COVID-19 pandemic
Authors: Rauch Ann-Kathrin , Offergeld Christian , Ketterer Manuel Christoph 
Published: July 2021

Abstract
IntroductionIn order to make a virtue out of necessity by establishing a digital teaching curriculum in ORL during the Covid-19 pandemic, we created the concept of a new digital scientific seminar. In this study, we present the students’ evaluation of the seminar focusing on digital and scientific skills acquisition. MethodsWe included 265 students in our prospective monocentric questionnaire study. The seminar started with an introduction on the criteria of a good publication, followed by the individual task of understanding the publication on a main ORL topic and writing its abstract. After the seminar students completed the evaluation questionnaire. ResultsOverall results showed that students rated the seminar well. Free-text comments added that although live teaching was preferred, students found their digital and scientific competence increased through the task of writing a publication abstract on their own. Conclusion Digital education was not only rated well, but satisfied the students’ wish for digital transformation and likewise fulfilled the national goals of competence-based education. Digital competence and skills convey data literacy in medical education and scientific education.
Relationship Between Stereopsis and Vision-Related Quality of Life Following Intravitreal Ranibizumab Injections for Central Retinal Vein Occlusion
Authors: Okamoto Fumiki , Tomioka Mizuki , Murakami Tomoya , Morikawa Shohei , Sugiura Yoshimi , Hiraoka Takahiro , Oshika Tetsuro 
Published: July 2021

Abstract
The study aimed to evaluate changes in stereopsis and vision-related quality of life (VR-QOL) in patients with central retinal vein occlusion (CRVO) following intravitreal ranibizumab injection (IVR) and investigate the relationship between stereopsis and VR-QOL. This study included 23 treatment-naïve patients with CRVO and 13 age-matched normal controls. Stereopsis, best-corrected visual acuity (BCVA), VR-QOL, and retinal microstructures were examined pre-treatment and 12 months post-treatment. The Titmus Stereo Test (TST) and TNO stereotest (TNO) were used to evaluate stereopsis. VR-QOL was evaluated using the 25-item National Eye Institute Visual Function Questionnaire (VFQ-25). IVR immediately and significantly improved the TST values, TNO values, composite VFQ-25 score, BCVA, and central foveal thickness in patients with CRVO. The 12-month post-treatment TST and TNO values were significantly worse in the CRVO group compared to those in the normal group. The baseline composite VFQ-25 score significantly correlated with the TST value. Multivariate analysis revealed significant associations between the 12-month post-treatment composite VFQ-25 score and the baseline and 12-month post-treatment TNO values. In conclusion, IVR immediately improved stereopsis in CRVO, albeit below normal levels. Stereopsis (not visual acuity) was associated with pre- and post-treatment VR-QOL in patients with CRVO.
A Modified Single-Endobutton Technique Combined with Nice Knot for Treatment of Rockwood Type III Acromioclavicular Joint Dislocation
Authors: Hu Fangning , Han Shumei , Liu Fanxiao , Wang Zhuang , Jia Honglei , Wang Fu , Hu Lingfei , Chen Jing , Wang Bomin , Yang Yongliang 
Published: July 2021

Abstract
Purpose: Double-endobutton technique, as a widely accepted strategy for the treatment of acromioclavicular joint dislocation , is undergoing constant improvement. This study was to assess the clinical effect of a modified single-endobutton combined with nice knot in the fixation of Rockwood type III acromioclavicular joint dislocation.Methods: From January 2016 to January 2018, 16 adult patients (13 males and 3 females) with Rockwood type III acromioclavicular joint dislocation were treated with a modified single-endobutton technique combined with nice knot in our department. The age ranged from 18 to 64 years old with an average of 32.8 years old. Operative time and intraoperative blood loss were recorded, post-operative clinical outcomes and radiographic results were recorded and analyzed. Preoperative and last follow up scores in the Constant-Murley Scale, Neer score, Rating Scale of the American Shoulder and Elbow Surgeons and VAS scale and complications such as infection, re-dislocation, implant loosening, medical origin fracture and hardware pain were recorded and evaluated. Results: 16 patients were followed up for 6 to 18 months with an average of 10.3 months. The operative time was 50-90 minutes with an average of (62.5±3.10) min. The intraoperative blood loss was 30-100 ml, with an average of (55.0±4.28) ml. The complications, such as wound infection, internal fixation failure and fractures, were not found in these cases. According to Karlsson criteria, there were excellent in 14 cases, good in 2 cases at the final follow up. The mean VAS score of the patients was 5.88±0.26 preoperatively, compared with 0.19±0.14 at the final follow-up evaluation. The difference was statistically significant (P<0.01). The mean Constant score was 45.5±2.0 preoperatively, compared to 94.0±0.73 at the final follow-up evaluation. The difference was statistically significant (P<0.01). Conclusion: Nice knot provides a reliable fixation for the single-Endobutton technique in the treatment of acromioclavicular dislocations. The modified single-Endobutton technique combined with nice knot can achieve good clinical outcomes in treatment of Rockwood type III acromioclavicular joint dislocation.
Induction of Anisotropic Orientation and Enhancement of Gene Functional Expression of Human Pluripotent Stem Cell-Derived Cardiomyocytes Cultured on Nanofabricated Substrates Consisting of Micron Planar Lines and Nano Dot Structures.
Authors: Tokuno Hisako , Dai Kotaro , Shinotsuka Kei 
Published: July 2021

Abstract
Human-induced pluripotent stem cell-derived cardiomyocytes (hiPS-CMs) are expected to have applications in the fields of regenerative medicine and drug discovery. However, the immaturity of hiPS-CMs is an issue to be considered, and in order to replicate in vivo responsivity, there have been several attempts to induce maturation in hiPS-CMs, including methods to induce differentiation of hiPS-CMs by changing culture medium and culture substrate. In particular, anisotropic culture, in which the cultured cells are aligned in one direction, induces the cellular morphology resembling that of in vivo cardiomyocytes and is expected to be a useful method for maturation of hiPS-CMs. We tried forming a nanostructure on the surface of the cell culture substrate using our original nanofabrication technology, with the aim of aligning cardiomyocytes and inducing maturation. Our newly developed nanostructure for anisotropic culture (line/dot structure) comprises a region of cone-shaped nanopillars with pitch distance of several hundred nm and a planar region, alternating in a striped pattern with intervals of several tens of µm, arranged on the surface of the cell culture substrate. The hiPS-CMs cultured using the line/dot structure showed anisotropic orientation, and increased mRNA expression was observed in myocardial structural protein genes, genes relating to ion channels, and the gene for Cx43. These results suggest that the line/dot nanostructure is effective for anisotropic culture and cell maturation of hiPS-CMs.
The Role of USP6 Gene Rearrangement by FISH Analysis in Nodular Fasciitis and Histological Mimics
Authors: Feng Yanfen , Zhang Yu , Lai Junpeng , Zhang Zichen , Li Min , Rao Huilan , Zhang Yingchun 
Published: July 2021

Abstract
Background: Nodular fasciitis (NF) is a common benign fibroblast and myofibroblast tumor. Although there have been constant concerns about its histological features and differential diagnosis, NF is still the most easily misdiagnosed mesenchymal lesions, especially over diagnosed as a sarcoma. USP6 gene rearrangement was reported recently to be a reproducible and specific gene change in NF, which strongly assists the diagnosis of NF. We aim to study USP6 Gene Rearrangement in NF and other spindle cell lesions mimicking NF, and to investigate the use of USP6 Gene Rearrangement in differentiating NF and its mimics.Methods: USP6 translocation by fluorescence in situ hybridization (FISH) was studied on 40 cases of NF and 54 cases of other spindle cell lesions (including 10 cases of spindle cell sarcoma) that mimic NF. Results: Thirty-four cases (85.5%) of NF showed USP6 gene translocation, including 10 cases which previously diagnosed or considered as malignant diseases by the referring pathologists. All of other 54 cases of spindle cell lesions were negative for USP6 translocation.Conclusions: USP6 gene rearrangement by FISH analysis is a reliable test for diagnosis of NF, and also a helpful adjunct to prevent over diagnosis of NF. Positive USP6 gene rearrangement by FISH could be a useful marker to exclude malignant lesions that mimics NF.
Hybrid Nanocomposite of Imidazolium Based Chitosan and Anderson-type Manganese Polyoxomolybdate for Boosting Drug Delivery Against Breast Cancer
Authors: Mahvash Shahrzad , Zavareh Vajihe Azimian , Taymouri Somayeh , Ramezani-Aliakbari Maryam , Dousti Fatemeh , Mirian Mina , Rostami Mahboubeh 
Published: July 2021

Abstract
Polyoxometalates (POMs) are a class of inorganic cytotoxic agents with potential anticancer effects. As the nano-formulation is one of the best approaches to adjust the therapeutic effects along with selective delivery, in this study, a novel biocompatible nano-composite (NC) of Anderson-type manganese polyoxomolybdate (MnMo6) was prepared using chitosan conjugate to achieve better selective cytotoxicity profile.Imidazolium modified chitosan (CSIm) was utilizedto getthe MnMo6 hybridNCs (MnMo6@CSIm NCs).The best resulting NCs were evaluated for their anticancer activity against breast cancer cell lines (MCF-7 & MDA-MB-231) as well as HUVEC normal cells using MTT assay. Furthermore, cellular uptake, apoptosis ratio and cell migration inhibition were evaluated on the MDA-MB-231 cell line as the triple-negative aggressive cell line.The optimized NPs had a zeta potential above +27 mV with a uniform distribution of sizes around 145 nm. The loading content and release efficiency were both satisfying (about 44% and 98%). In the release study, a pH-responsive release was detectedcomparing the neutral conditions.The NCs had a better anticancer activity than free MnMo6 in both cancer cell lines, without detectable cytotoxicity against HUVEC normal cells. The cellular uptake was about 100 %, and apoptosis value was enough high (81%) compared to free MnMo6. Interestingly, the MnMo6 hybrid NCs inhibitedthe cell migration of MDA-MB-231 cell line1.5 times better than the free MnMo6. All of these results are fascinating to follow more pre-clinical studies on this hybrid NC.
Electron, Phonon and Thermoelectric Properties of Cu7PS6 Crystal Calculated at DFT Level
Authors: Andriyevskyy Bohdan , Barchiy Igor , Studenyak Ihor , Kashuba Andriy , Piasecki Michał 
Published: July 2021

Abstract
The promising class of the environment-friendly thermoelectrics is the copper-based argyrodite-type ion-conducting crystals exhibiting just extraordinary low thermal conductivity below the glass limit associated with the molten copper sublattice leading to a softening of phonon modes. To explain why the argyrodite structure containing copper ions favors the low thermal conductivity, we have utilized the ab initio calculations of the electron, phonon, and thermoelectric properties of Cu7PS6 crystal in the framework of the density functional and Boltzmann transport theories. To obtain the reliable thermoelectric properties of Cu7PS6, we take into account the dependence of the electron effective mass m* on the redundant carrier concentration n. We propose to use the Burstein-Moss effect for the calculation of the electron effective mass m* of a semiconductor. We have found the strong nonlinear character of copper atom vibrations in Cu7PS6 which exceeds substantially the similar values for phosphorous and sulfur atoms. The large vibration nonlinearity of the copper atoms found in Cu7PS6 explains the diffusion-like heat transfer and the relatively low coefficient of the lattice thermal conductivity (κ = 0.7 W/(m⋅K)), which is favorable to achieve the large thermoelectric figure of merit.
Cadmium Accumulation in the Scales of Prussian Carp (Carassius Gibelio Bloch, 1782) Following Exposure to Cadmium in Water
Authors: Łuszczek-Trojnar Ewa , Ryndak Damian , Drąg-Kozak Ewa 
Published: July 2021

Abstract
The aim of the study was to investigate the accumulation of cadmium in the scales of Prussian carp (Carassius gibelio Bloch, 1782) as an indicator tissue of water contamination by cadmium. The study was carried out on 130 mature Prussian carp, which were placed in three 300L tanks. The fish were exposed to cadmium dissolved in water at a concentration of 0.0, 0.4 or 4.0 mg/L for a period of 84 days. After 42 and 84 days of exposure, 10 fish were randomly sampled from each tank. The fish were decapitated and all their scales were collected. The scales were rinsed and each of them was then carefully sectioned into an inner part and an outer part, removing the outermost growth ring, which most likely included scale increment from the exposure period. Cadmium concentration in the samples was then measured using the atomic absorption method. The analysis of the results showed that the concentration of cadmium in the scales increased with the duration of exposure and was significantly higher in the outer growth rings. The accumulation of cadmium in this part of the scales was correlated with the dose of cadmium and the duration of exposure. The results obtained confirmed the hypothesis that the concentration of cadmium in the outermost growth rings of fish scales reflects the most recent status of environmental contamination by this metal. Scales, which unlike other tissues such as the liver and muscle, can be sampled non-lethally, seem to be an excellent bioindicator of environmental contamination by heavy metals.
Molecular switches regulating the potency and immune evasiveness of SARS-CoV-2 spike protein
Authors: Wan Yushun , Huang Linfen , Zhang Xiujuan , Shang Jian , Perlman Stanley , Du Lanying , Li Fang 
Published: July 2021

Abstract
What enabled SARS-CoV-2, but not other coronaviruses, to cause a global pandemic? Here we investigated key structural determinants of the pandemic. Using SARS-CoV-1 and bat RaTG13-CoV as comparisons, we identified two molecular switches that regulate the conformations of SARS-CoV-2 spike protein: (i) a furin motif loop turns SARS-CoV-2 spike from a closed conformation to a mixture of open and closed conformations, and (ii) a K417V mutation turns SARS-CoV-2 spike from mixed conformations to an open conformation. We showed that the open conformation favors viral potency by exposing the RBD for receptor binding and viral entry, while the closed conformation supports viral immune evasion by hiding the RBD from neutralizing antibodies. Hence SARS-CoV-2 spike has evolved to reach a balance between potency and immune evasiveness, which contributes to the pandemic spread of SARS-CoV-2.The dynamics between viral potency and invasiveness is likely to further evolve, providing insights into future evolution of SARS-CoV-2.
Implementasi Algoritma Bellman-Ford untuk Pencarian Jalur Terpendek Menuju Rumah Sakit di Kota Yogya Berbasis Android
Authors: Setiawan Rendy , Santosa R. Gunawan , Tampubolon Junius Karel 
Published: July 2021

Kota Yogyakarta merupakan Kota Pelajar dan Kota Wisata. Banyak wisatawan maupun pelajar yang datang ke Kota Yogyakarta untuk belajar dan berlibur. Tetapi banyak dari pendatang tersebut yang tidak tahu mengenai lokasi dari rumah sakit di Kota Yogyakarta. Penelitian ini akan mencoba membuat aplikasi pencarian jalur terpendek menuju rumah sakit menggunakan algoritma Bellman-Ford berbasis Android. Algoritma Bellman-Ford merupakan salah satu algoritma untuk pencarian jalur terpendek. Dalam prosesnya, penulis mengambil data berupa koordinat jalan dan koordinat rumah sakit, lalu membuatnya menjadi satu kesatuan graf. Setelah mendapatkan graf, penulis menggunakan algoritma Bellman-Ford untuk mencari jalur terpendek. Hasil pencarian jalur terpendek akan dibandingkan dengan hasil pencarian dari Google Maps. Pengujian pencarian jalur terpendek dilakukan sebanyak 20 kali dan berhasil dilakukan dan menunjukan bahwa algoritma Bellman-Ford mampu memberikan jalur terpendek yang sama sebesar 80% dengan Google Maps, bahkan rata-rata jarak yang dikeluarkan lebih baik sebanyak 30.2m dibanding dengan rata-rata jarak yang dikeluarkan Google Maps. Pengujian ini juga menemukan bahwa semakin banyak jumlah verteks dan edge dalam data akan mempengaruhi lama proses algoritma untuk mencari jalur terpendek karena algoritma Bellman-Ford harus mengecek setiap verteks dan edge.
Predominance of blaTEM and tetA genes in antibiotic-resistant Escherichia coli isolates from Laguna Lake, Philippines
Authors: Salvador-Membreve Daile Meek , Rivera Windell L. 
Published: July 2021

Abstract
Lakes are one of the sinks of antibiotic-resistant bacteria (ARB) and antibiotic resistance genes (ARGs); however, information on ARB and ARGs in lakes in the Philippines is scarce. In this study, Escherichia coli was isolated from the largest freshwater lake in the Philippines, Laguna Lake, to detect antibiotic resistance and the presence of ARGs. Broth microdilution assay (BMA) and molecular identification of five environmentally prevalent ARGs (strA, blaCTX-M, blaSHV, blaTEM, and tetA) were performed. The majority (75.70%) of the isolates harbored at least one of the targeted antibiotic genes. Multiplex PCR detected about 49.07% of the isolates had genes for extended-spectrum β-lactamases (ESBL), which were mostly represented by blaTEM (47.66%). The genes strA and tetA were observed in this study with detection frequencies of 29.91 and 45.33%, respectively. About 95.69% of thermotolerant E. coli isolates were non-susceptible to six different antibiotics using BMA. Nearly 37% of the isolates were found to be multidrug-resistant (MDR) with most isolates resistant to ampicillin (81.72%). Furthermore, the occurrence of ESBL genes was significantly correlated with tetA genes (P = 0.013). To date, this study is the first to report on the presence of MDR and thermotolerant E. coli in Laguna Lake, Philippines.