bluuebunny/crossref_metadata_2025_split huggingface dataset:
External quality assessment-based tumor marker harmonization simulation; insights in achievable harmonization for CA 15-3 and CEA
Authors: Van Rossum Huub H. , Holdenrieder Stefan , Yun Yeo-Min , Patel Dina , Thelen Marc , Song Junghan , Unsworth Nick , Partridge Katherine , Moore Melanie , Cui Wei , Ramanathan Lakshmi , Meng Qing H. , Ballieux Bart E.P.B. , Sturgeon Catharine , Vesper Hubert 
Published: September 2024

Abstract

Objectives
CA 15-3 and CEA are tumor markers used in routine clinical care for breast cancer and colorectal cancer, among others. Current measurement procedures (MP) for these tumor markers are considered to be insufficiently harmonized. This study investigated the achievable harmonization for CA 15-3 and CEA by using an in silico simulation of external quality assessment (EQA) data from multiple EQA programs using patient-pool based samples.

Methods
CA 15-3 and CEA data from SKML (2021), UK NEQAS (2020–2021) and KEQAS (2020–2021) were used. A harmonization protocol was defined in which MPs that were considered equivalent were used to value assign EQA samples, and recalibration was only required if the MP had a bias of >5 % with value assigned EQA. Harmonization status was assessed by determining the mean level of agreement and residual variation by CV (%).

Results
Only MPs from Abbott, Beckman, Roche and Siemens were available in all EQA programs. For CA 15-3, recalibration was proposed for Beckman MP only and for CEA, recalibration was proposed for Siemens MP only. When the harmonization procedures were applied, for CA 15-3 the pre-harmonization mean bias range per MP was reduced from −29.28 to 9.86 %, into −0.09–0.12 % after harmonization. For CEA, the mean bias range per MP was reduced from −23.78 to 2.00 % pre-harmonization to −3.13–1.42 % post-harmonization.

Conclusions
The present study suggests that a significant improvement in the harmonization status of CA 15-3 and CEA may be achieved by recalibration of a limited number of MPs.
CFD-based investigation of NO
x
removal from industrial waste gas by selective catalytic reduction (SCR) and selective non-catalytic reduction (SNCR) process using NH3
Authors: Bose Debanik , Ghanta Kartik C. , Hens Abhiram 
Published: September 2024

Abstract
The present study conducts a comparative analysis between selective catalytic reduction (SCR) using a Cu-zeolite catalyst and selective non-catalytic reduction (SNCR) for the removal of NO
x
from industrial waste gas. The primary objective of this investigation is to computationally explore the removal of NO
x
using NH3 at various reactor conditions, along with the study of different hydrodynamic aspects. The study revealed the impact of different porosity of the catalyst (in SCR) and the number of baffles (in SNCR) on the reaction and fluid flow profile. Distinct geometries were employed to model each process, incorporating a turbulent model and kinetic parameters with an eddy-dissipation model (EDM) for simulations. Analyzing the effect of the NH3/NO ratio on NO conversion efficiency is a crucial component of the study. With diminishing efficiency at higher ratios, the SCR process demonstrated nearly complete NO conversion at a certain NH3/NO ratio, and this value changes with the inlet gas temperature. In contrast, SNCR produced less favorable conversion rates than SCR, indicating that the amount of NH3 supply affects conversion efficiency. At the SCR system’s optimum NH3/NO ratio, SNCR achieved an 83 % conversion, and the conversion rate remained relatively constant as the ratio was increased. The results highlight the various possibilities for optimization of the reactor systems in terms of efficiency and economic feasibility.
Creep–fatigue damage assessment in high-temperature piping system under bending and torsional moments using wireless MEMS-type gyro sensor
Authors: Arai Masayuki , Hamada Hiroyuki , Okuno Kazuma 
Published: September 2024

Abstract
Piping systems in thermal power plants are generally subjected to creep–fatigue loading caused by internal pressure, bending moment, and torsional moment in a high-temperature environment. These loadings cause Type IV cracks to form in the heat-affected zone in the weldment of the piping. In this study, we attempt to predict the creep–fatigue Type IV crack initiation life using a wireless micro-electromechanical system-type gyro sensor to understand the damage progress in plant components for the establishment of digital twin technology, which has recently attracted attention. The strategy for developing the system is as follows: i) remotely and sequentially import signals from a sensor attached to the actual component to a personal computer and ii) identify mechanical conditions such as bending and torsional moments in the piping component even in a high-temperature environment. This study first shows how to identify both moments in a piping system based on the rotation angles (deflection and torsion angles) measured using a gyro sensor. Next, a creep–fatigue life diagram is constructed based on the equivalent bending moment, which can combine the two independent parameters of bending and torsional moments into a single parameter. Finally, creep–fatigue tests were performed on a P91 steel piping weldment specimen using the high-temperature bending–torsional creep–fatigue testing machine developed by our group, and it was shown that the equivalent bending moment identified from the gyro sensor attached to the piping specimen can predict the Type IV creep–fatigue crack initiation life at the weldment.
Longitudinal changes of serum metabolomic profile after laparoscopic sleeve gastrectomy in obesity
Authors: Li Shuqi , Shi Chenye , Wu Haifu , Yan Hongmei , Xia Mingfeng , Jiao Heng , He Yang , Zhong Ming , Lou Wenhui , Gao Xin , Bian Hua , Chang Xinxia 
Published: September 2024

Background
Bariatric surgery induces significant weight loss, increases insulin sensitivity, and improves dyslipidemia. As one of the most widely performed bariatric surgeries, laparoscopic sleeve gastrectomy (LSG) is thought to improve the metabolic profile along with weight loss. The objective of this study was to evaluate longitudinal changes in the serum metabolite levels after LSG and elucidate the underlying mechanisms of metabolic improvement.

Methods
Clinical metabolic parameters and serum samples were collected preoperatively and at 1, 3, and 6 months postoperatively from nine patients with obesity undergoing LSG. Serum metabolites were measured using a non-targeted metabolic liquid chromatography–mass spectrometry method.

Results
During the 1, 3, and 6 months postoperative follow-up, the body mass index, HOMA-IR, and liver fat content showed a gradual descending trend. A total of 328 serum metabolites were detected, and 38 were differentially expressed. The up-regulated metabolites were mainly enriched in ketone body metabolism, alpha-linolenic acid and linoleic acid metabolism, pantothenate and CoA biosynthesis, glycerolipid metabolism, and fructose and mannose degradation, while the down-regulated metabolites were closely related to caffeine metabolism, oxidation of branched-chain fatty acids, glutamate metabolism, and homocysteine degradation. Notably, nine metabolites (oxoglutarate, 2-ketobutyric acid, succinic acid semialdehyde, phthalic acid, pantetheine, eicosapentaenoate, 3-hydroxybutanoate, oxamic acid, and dihydroxyfumarate) showed persistent differential expression at 1, 3, and 6 months follow-up. Some were found to be significantly associated with weight loss, insulin resistance improvement, and liver fat content reduction.

Conclusions
This finding may provide a new perspective for revealing novel biomarkers and mechanisms of metabolic improvement in obesity and related comorbidities.
SHIFT OF VIBRATIONAL ENERGY LEVELS OF MOLECULES UNDER ISOTOPICAL SUBSTITUTION. ISOTOPIC SERIES AND SEMI-EMPIRICAL APPROACH
Authors: БЫКОВ А.Д. , ВОРОНИН Б.А. 
Published: September 2024

Теория возмущений применена для вычисления колебательных уровней энергии изотопозамещенных молекул. В рамках приближения Борна-Оппенгеймера получено представление изотопических сдвигов энергетических уровней в виде рядов по степеням малых параметров - относительного изменения масс замещаемых атомов. Коэффициенты рядов являются функциями молекулярных констант только одной модификации изотопического семейства молекулы. Это позволяет, определив эти коэффициенты либо расчетом, либо на основе полуэмпирического подхода из экспериментальных данных, вычислить изотопические сдвиги для любых изотопологов, в том числе и короткоживущих. В качестве примера рассчитаны изотопические сдвиги уровней нестабильных изотопологов воды Н2ХО, Х = 13-15, 19-24, имеющих время полураспада более 1 мс. Полученные значения уровней сравниваются с результатами вариационных вычислений с высокоточной функцией внутримолекулярной потенциальной энергии. Отработана методика оценки уровней энергии для различных изотопологов воды с использованием изотопического ряда, которая в дальнейшем может быть использована для других молекул, особенно в тех случаях, когда отсутствуют вариационные расчеты.
The perturbation theory is applied to calculation of the vibrational energy levels of isotopically substituted molecules. Within the Born-Oppenheimer approximation, the isotopic shifts of energy levels are represented in the form of power series of small parameters, i.e., the relative change in the masses of substituted atoms. The coefficients of the series are functions of the molecular constants of only one modification of the isotopic family of a molecule. This makes it possible, having determined these coefficients either from calculation or on the basis of a semi-empirical approach from experimental data, to calculate isotopic shifts for any isotopologues, including short-lived ones. As an example, the isotopic shifts of the levels of unstable water isotopologues Н2ХО, Х = 13-15 and 19-24, with a half-life of more than 1 ms are calculated. The levels calculated are compared with the results of variational calculations with a high-precision function of the intramolecular potential energy.
OPTICAL ABSORPTION MANIPULATION OF SPHERICAL MICROCAPSULES MEDIATED BY BUFFER NANOPARTICLES
Authors: ГЕЙНЦ Ю.Э. , ПАНИНА Е.К. 
Published: September 2024

С помощью численного FDTD-моделирования исследована динамика поглощения ближнего инфракрасного излучения сферической микрокапсулой в окружении твердых золей с наночастицами различных оптических свойств (металл, биосовместимый диэлектрик). Подобная модельная частица является аналогом микроконтейнера, используемого в современных био- и медицинских технологиях для адресной доставки нанодоз терапевтических веществ в целевую область биологического организма. Установлено, что вследствие дифракции света на наночастицах возникает суперлокализация оптического поля с появлением «горячих областей» на поверхности микрокапсулы. Поглощение света увеличивается до трех раз при добавлении наночастиц.
Using numerical finite-difference time-domain (FDTD) calculations, we simulate and examine the absorption dynamics of the near-infrared optical radiation in a spherical microcapsule surrounded by solid nanoparticles of different optical properties (metal, biocompatible dielectric). A model microcapsule resembles a microcontainer used in modern bio- and medical technologies for targeted delivery of therapeutic nanodoses of drugs to the desired region of the biological tissues. We show that due to light scattering on nanoparticles, the optical field superlocalization in the "hot regions" on the microcapsule surface take place. The three-fold light absorption enhancement can be achieved due to the addition of buffer nanoparticles.
MOBILE LIDAR FOR SOUNDING TROPOSPHERIC OZONE
Authors: НЕВЗОРОВ А.А. , НЕВЗОРОВ А.В. , ХАРЧЕНКО О.В. , КРАВЦОВА Н.С. , РОМАНОВСКИЙ Я.О. 
Published: September 2024

Разработан и введен в эксплуатацию мобильный озоновый лидар на длинах волн зондирования 299 и 341 нм. Лидар способен охватить высоты от 0,1 до 12 км с пространственным разрешение лидарных сигналов от 1,5 до 150 м. Приведены техническое описание мобильного лидара и результаты натурного эксперимента по лазерному зондированию атмосферы в Томске. Полученные эхосигналы и восстановленные профили озона подтверждают информативность измерений в тропосфере. Выполнено сопоставление лидарных и спутниковых (MetOp) измерений.
A mobile ozone lidar for sounding at wavelengths of 299 and 341 nm was designed and put into operation. The lidar is capable of covering the altitude range from 0.1 to 12 km with a spatial resolution of lidar signals from 1.5 to 150 m. The specification of the mobile lidar is given; the results of a field experiment on laser sounding of the atmosphere in Tomsk are presented. Echo signals received and the ozone profiles retrieved confirm the information content of lidar measurements in the troposphere. The results of lidar and satellite (MetOp) measurements are compared.
BIOLOGICALLY ACTIVE SUBSTANCES IN THE ORGANS OF IRIS SETOSA (IRIDACEAE)
Authors: СЕДЕЛЬНИКОВА Л.Л. , КУКУШКИНА Т.А. 
Published: September 2024

Представлены результаты определения содержания основных групп биологически активных веществ в цветках, листьях, корневищах ириса щетинистого (Iris setosa), культивируемого в условиях лесостепной зоны Новосибирской области. Определено содержание танинов, пектинов, протопектинов, катехинов, флавоноидов, каротиноидов в период сезонного развития растений. Установлено, что содержание танинов в листьях во всех фенофазах развития растений I. setosa в 6.3-8.5 раз выше, чем в корневищах. В период цветения флавоноидов в листьях в 29.7 раз больше, чем в корневищах, в период отцветания - в 18.1 раза, плодоношения - в 25.1 раз. Установлено одинаковое накопление катехинов (0.23-0.24 мас. %) в подземных и надземных органах в период отцветания растений. Обнаружено, что пектинов в листьях в период плодоношения в 2.4-2.7 раза больше, чем в период цветения и отцветания растений. В корневищах пектинов в 2.2-2.4 раза больше в период отцветания и плодоношения, чем цветения. Содержание каротиноидов в цветках в период цветения в 2 раза выше, чем в корневищах, но в 2.6 раза меньше, чем в листьях. Отмечено, что количественное содержание биологически активных веществ в органах I. setosa определяется особенностями роста и развития в течение сезонного периода.
The content of the main groups of biologically active substances in the flowers, leaves, rhizomes of Iris setosa cultivated under the conditions of the forest-steppe zone of the Novosibirsk Region has been determined. The content of tannins, pectins, protopectins, catechins, flavonoids, carotenoids during the seasonal development of plants was determined. It is found that tannin content in the leaves in all phenophases of I. setosa plant development is 6.3-8.5 times higher than in rhizomes. During the flowering period, flavonoid content in the leaves is 29.7 times higher than in rhizomes, during the stage of blossom fading it is 18.1 times higher, and at the stage of fruiting it is 25.1 times higher. The same accumulation of catechins (0.23-0.24 wt%) was found in underground and aboveground organs during the period of blossom fading. Pectin content in leaves during fruiting was detected to be 2.4-2.7 times higher than during flowering and blossom fading. Pectin content in rhizomes is 2.2-2.4 times higher during blossom fading and fruiting than during flowering. The content of carotenoids in flowers during flowering is 2 times higher than in rhizomes, but 2.6 times lower than in leaves. It is noted that the quantitative content of biologically active substances in the organs of I. setosa is determined by the peculiarities of growth and development during the seasonal period.
A Robust and Rapid Grid-Based Machine Learning Approach for Inside and Off-Network Earthquakes Classification in Dynamically Changing Seismic Networks
Authors: Annunziata Daniela , Savoia Martina , Martino Claudio , Giampaolo Fabio , Convertito Vincenzo , Piccialli Francesco , Beroza Gregory C. 
Published: September 2024

Abstract
Earthquake location and magnitude estimation are critical for seismic monitoring and emergency response. However, accurately determining the location and the magnitude of off-network earthquakes remains challenging. Seismic stations receive signals from various sources, and it is crucial to quickly discern whether events originated within the area of interest. Location determination relies on obtaining ample P- and S-wave readings to ensure accurate and dependable results. Seismic networks vary due to station changes or outages, and their variable geometry represents a constraint for traditional machine learning models, which rely on fixed data structures. This study presents a novel approach for real-time classification of local and off-network earthquakes using the first three associated P picks within an early warning scenario, and also identifying the event’s direction. To handle variable network geometry, we employ a grid structure over the seismic area. The effectiveness of our method was initially validated with data from the Italian National Seismic Network, selecting Central Italy and Messina Strait subnetworks, and from a subnetwork of the Southern California Seismic Network; it achieves an inside–outside accuracy of 95%, 93%, and 96%, and a location region accuracy of 93%, 82%, and 97%, respectively. Its robustness was further demonstrated using picks from an earthquake early warning (EEW) system, the PRobabilistic and Evolutionary early warning SysTem (PRESTo) software, to simulate real and noncataloged input data. Our method outperforms PRESTo’s first localization, showing an inside versus outside classification improvement of 9.1% for Central Italy and 20.7% for the Messina Strait. This approach provides advanced seismic monitoring that can be implemented in systems devoted to reduce the impact of damaging events as the EEW system, but also shows promise for enhancing emergency response. Indeed, being able to quickly classify earthquakes is crucial for responding promptly and effectively during emergencies, minimizing risks, and for limiting false alarms.
Statistical Analysis of Characteristic Parameters and Probability Distribution of Near-Fault Velocity Pulses—A Case Study on the 1999 Mw 7.6 Chi-Chi Earthquake
Authors: Ji Zhiwei , Li Zongchao , Zhang Yan , Quanbo Luo , Sun Jize , Ju Changhui , Zhang Yongxian 
Published: September 2024

Abstract
The 1999 Mw 7.6 Chi-Chi earthquake in the Taiwan region generated valuable ground motions, providing an opportunity for studying the characteristic parameters and distribution of near-fault velocity pulses. Using the finite-difference method, we built a source model, simulated the 1999 Mw 7.6 Chi-Chi earthquake ground motions, and obtained synthetic velocity waveforms consistent with the observed waveforms. On this basis, we analyzed the distribution of velocity pulses in the near-fault region and compared it with the pulse probability distribution (PPD) curve of the near-fault velocity pulse. We found that the complex rupture process of the Mw 7.6 Chi-Chi earthquake resulted in velocity pulses still being recorded in Miaoli and Xinzhu. In addition, we analyzed the relationship between pulse period, pulse peak, and fault distance. The pulse peak indicates a clear attenuation trend with increasing fault distance (Rrup) and no statistical relationship between the pulse period and Rrup. More velocity pulses in normal-fault components reveal the reverse fault of the Chi-Chi earthquake. Finally, structures with natural periods within the 1–7 s are more susceptible to resonance from near-fault velocity pulses, and it is necessary to take appropriate seismic measures. This study lays the foundation for a deeper understanding of the ground motion and pulse characteristics caused by earthquakes and contributes to sustained efforts in seismic hazard assessment.
Waveguide or Not? Revised Ground-Motion Simulations for Greater Los Angeles from the M 7.8 ShakeOut Earthquake Scenario
Authors: Yeh Te-Yang , Olsen Kim B. 
Published: September 2024

Abstract
The ShakeOut scenario of an M 7.8 northwestward rupture on the southern San Andreas fault (SSAF) (Jones et al., 2008) predicted significant long-period ground-motion amplification in the greater Los Angeles, California, area, caused by a waveguide from interconnected sedimentary basins. However, the early ShakeOut ground-motion simulations omitted important model features with immature versions of the velocity structure and fault geometry. Here, we present 0–1 Hz 3D numerical wave propagation simulations for the ShakeOut scenario including surface topography, as well as updated high-resolution velocity structures and SSAF geometry. Spectral accelerations at 3 s are increased by the local high-resolution basin models (25%–45%) but decreased from complexity in velocity and density updates outside the basins (65%–100%) and inclusion of surface topography (∼30%). The updated model reduces the simulated long-period ground motions in the waveguide by 60%–70%, bringing the predictions significantly closer to the values by a leading Next Generation Attenuation-West2 ground-motion model.
Assessing Jamaica's Logistics Hub Initiative and Its Implications for Sustainable Development
Authors: Reid Shemar , Johnson Corey 
Published: September 2024

This study looks at the Jamaica Logistics Hub Initiative (JLHI), a deliberate initiative to convert Jamaica into a major participant in global commerce and logistics. Using a mixed-methods approach, the study examines economic indicators, environmental consequences, and alignment with sustainable development objectives from 2010 to 2022, including time periods prior to and following the initiative's 2013 first appearance. The findings show considerable economic benefits, such as faster GDP growth, higher foreign direct investment, and job creation in logistics-related industries. However, the report notes several problems, notably in terms of environmental sustainability and the need to improve export competitiveness. The JLHI's connection with the SDGs is reviewed, highlighting positive contributions to economic growth and global alliances, while recognizing opportunities for improvement in the management of the environment. The study concludes that the JLHI's long-term performance is dependent on combining economic goals with environmental sustainability and social equality. Recommendations include improving logistical performance, creating value-added services, introducing green technology, and prioritizing workforce development. This thorough research provides useful insights for policymakers and stakeholders, adding to the current discussion on sustainable logistics hub development in small island developing states.