bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phylourny: Efficiently Calculating Elimination Tournament Win Probabilities via Phylogenetic Methods
Authors: Bettisworth Ben , Jordan Alexander , Stamatakis Alexandros 
Published: October 2022

Abstract
The prediction of knockout tournaments represents an area of large public interest and active academic as well as industrial research. Here, we show how one can leverage the computational analogies between calculating the phylogenetic likelihood score used in the area of molecular evolution to efficiently calculate , instead of approximate via simulations, the exact per-team tournament win probabilities, given a pairwise win probability matrix between all teams. We implement and make available our method as open-source code and show that it is two orders of magnitude faster than simulations and two or more orders of magnitude faster than calculating the exact per-team win probabilities naïvely, without taking into account the substantial computational savings induced by the tournament tree structure. Furthermore, we showcase novel prediction approaches that now become feasible due to this order of magnitude improvement in calculating tournament win probabilities. We demonstrate how to quantify prediction uncertainty by calculating 100,000 distinct tournament win probabilities for a tournament with 16 teams under slight variations of a reasonable pairwise win probability matrix within one minute on a standard laptop. We also conduct an analogous analysis for a tournament with 64 teams.
Fast simultaneous estimation of nD transport coefficients and source function in perturbation experiments
Authors: Kampen Ricky van , de Vries Jelle , Weiland Siep , de Baar Marco , Berkel Matthijs van 
Published: October 2022

Abstract
In the calculation of transport coefficients from experimental data precise knowledge of the source is usually assumed, while the identification of the coefficients focuses on specific geometries and one spatial variable. This paper presents a method for the simultaneous estimation of both the distributions of transport coefficients as well as the source profile. A convex solution of the inverse problem is retained which makes the calculations highly computational efficient. Moreover, this allows for the estimation of multi-dimensional transport coefficients, source terms, and the analysis of the effect of regularization on experimental data and transport coefficient distributions.
Identification of FDA-approved drugs with triple targeting mode of action for the treatment of Monkeypox: a high throughput virtual screening study
Authors: Srivast Varshita , Naik Biswajit , Godara Priya , Prusty Dhaneswar 
Published: October 2022

Abstract
According to the Center for Disease Control and Prevention, as of August 23, 94 countries had confirmed 42,954 Monkeypox Virus cases. As specific monkeypox drugs are not yet developed, the treatment depends on repurposed FDA-approved drugs. According to a recent study, the Monkeypox outbreak is caused by a strain with a unique mutation, raising the likelihood that the virus will develop resistance to current drugs by acquiring mutations in the targets of currently used drugs. The probability of multiple mutations in two or more drug targets at a time is always low than mutation in a single drug target. Therefore, we identified 15 triple-targeting FDA-approved drugs that can inhibit three viral targets, including topoisomerase1, p37, and thymidylate kinase, using high throughput virtual screening approach. Further, the molecular dynamics simulation analysis of the top hits such as Naldemedine and Saquinavir with their respective targets reveals the formation of stable conformational changes of the ligand-protein complexes inside the dynamic biological environment. We suggest further research on these triple-targeting molecules to develop an effective therapy for the currently spreading Monkeypox.
Biomechanical analysis of adjacent segments after spine fusion surgery using a novel geometrically-parametric patient-specific finite element model
Authors: Wang Yuming , Shen Qianyi , Liang Chang , Tang Xiangsheng , Yi Ping 
Published: October 2022

Abstract
OBJECTIVE
This study aimed to perform mechanical analysis of adjacent segments after spine fusion surgery using a novel geometrically-parametric patient-specific finite element model and to elucidate the mechanism of adjacent segments degeneration(ASD)thus providing theoretical evidence for early prevention.
METHODS
Fourteen parameters based on patient specific spinal geometry were extracted from the patient's preoperative computed tomography(CT), and the relative positions of each spinal segment were determined using image match method. A preoperative patient-specific model of spine was established by the above method. The postoperative model of L45 posterior lumbar interbody fusion(PLIF) surgery was constructed using the same method except for removing the lamina and the intervebral disc, and inserting a cage, 4 pedicle screws, and 2 connecting rods. Range of motion(ROM) and stress changes were compared between each anatomic structure of the preoperative and postoperative models.
RESULTS
The overall ROM of the lumbar spine decreased after fusion, while the ROM, stress at facet joint, and stress at the intervertebral disc of adjacent segments all increased. The stress distribution in the annulus fibrosus, nucleus pulposus, and facet joints also showed that not only the maximum stress in these tissues were elevated, but the areas of the moderate-to-high stress region were also expanded. During torsion, the stress at facet joint and annulus fibrosus of the proximal adjacent segment (L34) increased to a larger extent compared with the distal adjacent segment (L5S1).
Conclusion
While fusion surgery causes an overall restriction of motion at the lumbar spine, it also causes more loads sharing by the adjacent segments in order to compensate for the fused segment, thus increasing the risk of ASD. The proximal adjacent segment is more prone to degeneration than the distal adjacent segment after spinal fusion due to the significant increase in stress changes.
Novel Appraoch in Fracture Characterization of Soft Adhesive Materials Using Spiral Cracking Patterns
Authors: Behnia Behzad 
Published: October 2022

Abstract
A transformative and radically different approach for fracture characterization of soft adhesive materials through use of spiral cracking patterns is presented. This research particularly focuses on hydrocarbon polymeric materials such as asphalt binders. Five different asphalt materials were utilized in this study. An innovative integrated experimental-computational framework coupling Acoustic Emissions (AE) approach along with machine learning-based Digital Image Analysis (DIA) method is employed to determine the crack geometry and to accurately characterize fracture behavior of the material. Various image processing and machine learning techniques such as Convolutional Neural Networks (CNN), skeletonization, segmentation, and regression were used in DIA to automatically analyze spiral patterns. A new parameter called the “Spiral Cracking Energy (ESpiral)” to assess fracture performance of soft adhesives is introduced in this work. This study also explores the relationship between ESpiral and fracture energy of the material.
High-frequency spin torque oscillation in orthogonal magnetization disks with strong biquadratic magnetic coupling
Authors: Liu Chuhan , Kurokawa Yuichiro , Hashimoto Naoki , Tanaka Terumitsu , Yuasa Hiromi 
Published: October 2022

Abstract
In this study, we numerically investigate the spin transfer torque oscillation (STO) in a magnetic orthogonal configuration by introducing a strong biquadratic magnetic coupling. The orthogonal configuration consists of top and bottom layers with in-plane and perpendicular magnetic anisotropy sandwiching a nonmagnetic spacer. The advantage of an orthogonal configuration is the high efficiency of spin transfer torque leading a high STO frequency; however, maintaining the STO in a wide range of electric current is challenging. By introducing biquadratic magnetic coupling into the orthogonal structure of FePt/spacer/Co90Fe10, Ni80Fe20 or Ni, we were able to expand the electric current region in which the stable STO is realized, resulting in a relatively high STO frequency. For example, approximately 50 GHz can be achieved in an Ni layer at a current density of 5.5 x 107 A/cm2. In addition, we investigated two types of initial magnetic state: out-of-plane and in-plane magnetic saturation; this leads to a vortex and an in-plane magnetic domain structure after relaxation, respectively. The transient time before the stable STO was reduced to between 0.5 ns and 1.8 ns by changing the initial state from out-of-plane to in-plane.
Point pattern analysis and classification on compact two–point homogeneous spaces evolving time
Authors: Frías M.P. , Torres-Signes A. , Ruiz-Medina M.D. 
Published: October 2022

Abstract
This paper introduces a new modeling framework for the statistical analysis of point patterns on a manifold M_d , defined by a connected and compact two–point homogeneous space, including the special case of the sphere. The presented approach is based on temporal Cox processes driven by a L2 (M_d)– valued log–intensity. Different aggregation schemes on the manifold of the spatiotemporal point–referenced data are implemented in terms of the time– varying discrete Jacobi polynomial transform of the log–risk process. The n–dimensional microscale point pattern evolution in time at different manifold spatial scales is then characterized from such a transform. The simulation study undertaken illustrates the construction of spherical point process models displaying aggregation at low Legendre polynomial transform frequencies (large scale), while regularity is observed at high frequencies (small scale). K–function analysis supports these results under temporal short–, intermediate– and long–range dependence of the log–risk process.
Shaken or stirred: the diffuse interstellar medium with exceptionally high SiO abundance
Authors: Stanimirovic Snezana , Rybarczyk Daniel , Gusdorf Antoine 
Published: October 2022

Abstract
Stellar feedback, in the form of interstellar shocks, shapes the structure of the interstellar medium (ISM) and is essential for the chemistry, structure, thermodynamics, and kinematics of interstellar gas. Stellar winds, young supernova explosions, and protostellar outflows drive
powerful, high-velocity shocks, while the origin of much-lower-velocity shocks (< 10 km/s) in the diffuse and translucent ISM is not understood. Direct observational evidence for interstellar shocks caused by mechanisms other than stellar winds and supernovae, as well as constraints for their importance in the diffuse ISM, have been lacking. The SiO molecule
is often considered an unambiguous way to trace interstellar shocks. We present the most sensitive survey to date of SiO in absorption, obtained with the Northern Extended Millimeter Array interferometer. We detect SiO in 5/8 directions probing diffuse and translucent environments without ongoing star formation. Our results demonstrate that SiO formation
in the diffuse ISM (i.e., in the absence of significant star formation and stellar feedback) is more widespread and effective than previously reported. The observed SiO linewidths are all <4 km/s, which can be formed via low-velocity shocks, i.e., not outflows, stellar winds, or supernovae. Yet, the SiO abundances we detect are typically 1 to 2 orders of magnitude
higher than previously reported in quiescent environments. The detection of SiO in diffuse and translucent environments where standard, UV-dominated chemical models have failed to account for high chemical abundances suggests that non-equilibrium effects are important
to diffuse interstellar chemistry and that low-velocity shocks are effective in stirring up diffuse gas and dust. Our results also emphasize the need for observational constrains on the
distribution of Si in the gas phase and grain mantles, which are crucial for understanding the physics of grain processing and diffuse interstellar chemistry.
Regulating photosalient behaviour in dynamic metal-organic crystals
Authors: Khan Samim , Dutta Basudeb , Naaz Sanobar , Choudhury Aditya , Cazade Pierre-André , Kiely Emma , Guerin Sarah , Medishetty Raghavender , Mir Mohammad Hedayetullah 
Published: October 2022

Abstract
Dynamic photoactuating crystals have become a sensation due to their potential applications in developing smart medical devices, molecular machines, artificial muscles, flexible electronics sensing and probes. Here we report the synthesis of two iso-structural metal-organic crystals, [Zn(4-ohbz)2(4-nvp)2] (1) and [Cd(4-ohbz)2(4-nvp)2] (2) {H4-ohbz = 4-hydroxy benzoic acid; 4-nvp = 4-(1-naphthylvinyl)pyridine} which undergo topochemical [2 + 2] cycloaddition under UV as well as sunlight to generate a dimerized product of discrete metal-complex[Zn(4-ohbz)2(rctt-4-pncb)] {rctt-4-pncb = 1,3-bis(4'-pyridyl)-2,4-bis(naphthyl)cyclobutane} (1') and one-dimensional coordination polymer (1D CP) [Cd(4-ohbz)2(rctt-4-pncb)] (2') respectively, in a single-crystal to single-crystal (SCSC) manner. The Zn-based compounds demonstrate photosalient behaviour, wherein crystals show jumping, splitting, rolling, and swelling upon UV irradiation. However, the Cd crystals do not show such behaviour maintaining the original unit cell. Thus the photomechanical behaviour can be induced by choosing a suitable metal ion. The above findings are well validated by quantitative density functional theory (DFT) calculations which show that the Zn-based crystal shifts towards an orthorhombic structure to resolve the anisotropic UV-induced mechanical strain.
No Excess Deaths Among Children in Europe 2021-2022
Authors: Karlinsky Ariel 
Published: October 2022

Abstract
There are claims of significant excess mortality among children (ages 0 to 14) in Europe during 2021 and 2022. Evaluation of raw data and excess mortality analysis show that children deaths in 2021-2022 are completely in-line with deaths from previous years in most European countries, and in many cases even lower. Across 35 European countries, among children ages 0 to 14 up to July 31st 2022 there are 330 less deaths than expected, with a confidence interval of [-770, 104].
Machine Learning Model for Predicting Number of COVID-19 Cases in Countries with Low Number of Tests
Authors: Hashim Samy , Farooq Sally , Syriopoulos Eleni , la Lande Cremer Kai de , Vogt Alexander , de Jong Nol , Aguado Victor L. , Popescu Mihai , Mohamed Ashraf K. , Amin Muhamed 
Published: October 2022

Background:
The COVID-19 pandemic has presented a series of new challenges to governments and healthcare systems. Testing is one important method for monitoring and controlling the spread of COVID-19. Yet with a serious discrepancy in the resources available between rich and poor countries, not every country is able to employ widespread testing.

Methods and Objective:
Here, we have developed machine learning models for predicting the prevalence of COVID-19 cases in a country based on multilinear regression and neural network models. The models are trained on data from US states and tested against the reported infections in European countries. The model is based on four features: Number of tests, Population Percentage, Urban Population, and Gini index.

Results:
The population and the number of tests have the strongest correlation with the number of infections. The model was then tested on data from European countries for which the correlation coefficient between the actual and predicted cases R2 was found to be 0.88 in the multi-linear regression and 0.91 for the neural network model

Conclusion:
The model predicts that the actual prevalence of COVID-19 infection in countries where the number of tests is less than 10% of their populations is at least 26 times greater than the reported numbers.
Measuring the Usability of eHealth Solutions for Patients With Parkinson Disease: Observational Study
Authors: Bendig Jonas , Spanz Anja , Leidig Jana , Frank Anika , Stahr Marcus , Reichmann Heinz , Loewenbrück Kai F , Falkenburger Björn H 
Published: October 2022

Background
Parkinson disease (PD) is a neurodegenerative disorder with a variety of motor and nonmotor symptoms. Many of these symptoms can be monitored by eHealth solutions, including smartphone apps, wearable sensors, and camera systems. The usability of such systems is a key factor in long-term use, but not much is known about the predictors of successful use and preferable methods to assess usability in patients with PD.

Objective
This study tested methods to assess usability and determined prerequisites for successful use in patients with PD.

Methods
We performed comprehensive usability assessments with 18 patients with PD using a mixed methods usability battery containing the System Usability Scale, a rater-based evaluation of device-specific tasks, and qualitative interviews. Each patient performed the usability battery with 2 of 3 randomly assigned devices: a tablet app, wearable sensors, and a camera system. The usability battery was administered at the beginning and at the end of a 4-day testing period. Between usability batteries, the systems were used by the patients during 3 sessions of motor assessments (wearable sensors and camera system) and at the movement disorder ward (tablet app).

Results
In this study, the rater-based evaluation of tasks discriminated the best between the 3 eHealth solutions, whereas subjective modalities such as the System Usability Scale were not able to distinguish between the systems. Successful use was associated with different clinical characteristics for each system: eHealth literacy and cognitive function predicted successful use of the tablet app, and better motor function and lower age correlated with the independent use of the camera system. The successful use of the wearable sensors was independent of clinical characteristics. Unfortunately, patients who were not able to use the devices well provided few improvement suggestions in qualitative interviews.

Conclusions
eHealth solutions should be developed with a specific set of patients in mind and subsequently tested in this cohort. For a complete picture, usability assessments should include a rater-based evaluation of task performance, and there is a need to develop strategies to circumvent the underrepresentation of poorly performing patients in qualitative usability research.
Hiện trạng kỹ thuật và sử dụng thức ăn ương ấu trùng cua biển (Scylla paramamosain) Đồng bằng sông Cửu Long
Authors: Lâm Tâm Nguyên , Trần Thị Thanh Hiền 
Published: October 2022

Khảo sát được thực hiện 2 đợt: đợt 1 vào năm 2015 và đợt 2 vào năm 2020 bằng cách phỏng vấn trực tiếp nông hộ sản xuất giống cua biển (Scylla paramamosain) ở 3 tỉnh ĐBSCL có nghề sản xuất giống cua phát triển mạnh gồm Bạc Liêu, Cà Mau và Kiên Giang nhằm thu thập thông tin về kỹ thuật sản xuất giống cua biển, tình hình sử dụng thức ăn trong ương ấu trùng cua biển. Mật độ ương ấu trùng cua giai đoạn zoea1 trong khoảng 101,6 và 192,7. Tỷ lệ sống megalopa và cua 1: megalopae trung bình 8,17%, và cua 1 là 6,74%. Kết quả khảo sát cho thấy 100% các trại sản xuất giống cua sử dụng kết hợp ấu trùng Artemia với thức ăn nhân tạo cho tôm để ương ấu trùng cua biển. Hàm lượng protein thức ăn dao động từ 42-52% và lipid từ 7 đến 14,2%. Chi phí thức ăn Artemia chiếm tỷ lệ cao (75%) và chi phí thức ăn nhân tạo chỉ chiếm 3%. Sản xuất giống cua biển ở Đồng bằng sông Cửu Long còn phụ thuộc nhiều vào nguồn Artemia và chưa có thức ăn chuyên cho ương giống cua biển, vì vậy việc nghiên cứu sản xuất thức ăn ương ấu trùng cua biển là cần thiết cho việc phát triển nghề sản xuất giống cua biển.
Ảnh hưởng của tỉ lệ nước biển nhân tạo lên sinh trưởng và tỉ lệ sống của tôm thẻ chân trắng (Litopenaeus vannamei)
Authors: Trương Quốc Phú , Lê Quốc Việt 
Published: October 2022

Nghiên cứu được tiến hành nhằm tìm ra tỉ lệ nước biển nhân tạo thích hợp cho nuôi tôm thẻ chân trắng (Litopenaeus vannamei). Thí nghiệm được bố trí gồm 5 nghiệm thức với tỉ lệ pha trộn giữa nước biển nhân tạo và nước biển tự nhiên khác nhau (100, 75, 50, 25 và 0% nước biển nhân tạo), mỗi nghiệm thức lặp lại 4 lần. Tôm thẻ chân trắng với khối lượng trung bình cá thể ban đầu 3,18±0,37 g, tương ứng với chiều dài 7,42±0,17 cm và mật độ nuôi là 100 con/m3. Tôm được cho ăn 5 lần/ngày bằng thức ăn viên 40% protein. Kết quả nghiên cứu cho thấy tốc độ sinh trưởng và tỉ lệ sống của tôm ở 0 và 25% nước biển nhân tạo cao hơn và khác biệt có ý nghĩa so với tôm ở 50, 75 và 100% nước biển nhân tạo, trong đó sinh trưởng và tỉ lệ sống của tôm ở nghiệm thức 100% nước biển nhân tạo thấp nhất. Như vậy, nước biển nhân tạo có thể sử dụng để nuôi tôm thẻ chân trắng và tỉ lệ thay thế nước biển tự nhiên tốt nhất là 25%.
Khả năng gây độc của cỏ sữa lá nhỏ (Euphorbia thymifolia L.) trên mô hình ruồi giấm (Drosophila melanogaster)
Authors: Võ Diệp Thúy , Huỳnh Hồng Phiến , Trần Thanh Mến 
Published: October 2022

Những loại thuốc trừ sâu có nguồn gốc từ thực vật hiện được đề xuất như những lựa chọn thay thế hữu ích cho thuốc trừ sâu hóa học tổng hợp để quản lý côn trùng gây hại. Trong nghiên cứu này, ruồi giấm được sử dụng như một mô hình côn trùng để khảo sát khả năng gây độc của chiết xuất từ cây cỏ sữa lá nhỏ. Cỏ sữa lá nhỏ khi được phân tích thành phần hóa học cho thấy có sự hiện diện của flavonoid, polyphenol, tannin và alkaloid. Hoạt tính gây độc của chiết xuất cỏ sữa lá nhỏ được đánh giá đối với ấu trùng giai đoạn 2 của ruồi giấm và được chứng minh là có hiệu quả gây tử vong 53,33% ở nồng độ 150 mg/mL. Ngoài ra, cao chiết ethanol cỏ sữa lá nhỏ cũng ảnh hưởng đến quá trình sinh sản và sinh trưởng của ruồi giấm. Đáng chú ý, cao chiết cỏ sữa lá nhỏ gây ra những thay đổi trong hoạt động của enzyme acetylcholine và những suy giảm trong hoạt động vận động di chuyển đã được ghi nhận.
Phân lập và xác định đặc tính của vi khuẩn bản địa cho sản xuất chế phẩm sinh học trong nuôi trồng thủy sản ở Bạch Long, tỉnh Nam Định
Authors: Đỗ Quang Trung , Vũ Văn Hạnh , Lưu Thế Anh 
Published: October 2022

Thức ăn bổ sung probiotic có thể cải thiện sức khỏe và dinh dưỡng của vật nuôi, nhưng vi khuẩn tương ứng chủ yếu được phân lập từ vật chủ máu nóng trên cạn, hạn chế ứng dụng hiệu quả trên tôm, cá và ngao. Chế phẩm sinh học từ loài vi khuẩn bản địa thích nghi với đường tiêu hóa của các loài thủy sản tương ứng do đó sẽ hiệu quả hơn. Trong nghiên cứu này, 194 chủng vi khuẩn đã được phân lập từ hệ tiêu hóa của ngao, tôm, và cá. Chủng TON1.4 cho thấy hoạt tính enzyme ngoại bào cao và khả năng ức chế các chủng vi khuẩn kiểm định tốt nhất. Kết quả giải trình tự gen 16S rDNA cho thấy chủng TON1.4 là Bacillus amyloliquefaciens. Hơn nữa, chủng TON1.4 cũng có khả năng chịu được pH từ 5 đến 9, nồng độ muối từ 0,5 đến 6%. Chiến lược phân lập và xác định đặc điểm của các chủng vi khuẩn bản địa được trình bày có tiềm năng cho sản xuất probiotic ,có thể dễ dàng thích nghi với các loài thủy sản khác.
Khám phá các phân tử thuốc từ cơ sở dữ liệu Drugbank như là hợp chất ức chế Kinesin Eg5 ở người bằng docking phân tử
Authors: Nguyễn Ngọc Lê , Nguyễn Cường Quốc , Trần Quang Đệ 
Published: October 2022

Kinesin Eg5 đóng một vai trò quan trọng trong giai đoạn đầu của quá trình nguyên phân và là một mục tiêu thú vị để thiết kế các loại chất ức chế. Trong nghiên cứu này, sự kết hợp giữa mô hình nghiên cứu 2D-QSAR và docking phân tử đã được thực hiện trên các loại thuốc từ cơ sở dữ liệu của Drugbank như là các chất ức chế Eg5. Sáu loại thuốc bao gồm Mimosine, Flubendazole, Perampanel, Asenapine, Cloxacillin và Zaleplon được dự đoán là rất tiềm năng cho định hướng ức chế Eg5 với năng lượng liên kết thấp hơn -19 kJ/mol. Kết quả docking cho thấy bốn tương tác hydro với các amino acid Glu116, Gly117, Glu118 và Arg22 tại khoang gắn kết của Eg5. Do đó, kết quả của nghiên cứu này là những thông tin có giá trị cho việc thiết kế và dự đoán các chất ức chế Eg5 tiềm năng mới trong tương lai.