bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spatial Characterization of Wetting in Porous Media Using Local Lattice-Boltzmann Simulations
Authors: Erfani Hamidreza , Haghani Reza , McClure James , Boek Edo , Berg Carl Fredrik 
Published: December 2023

AbstractWettability is one of the critical parameters affecting multiphase flow in porous media. The wettability is determined by the affinity of fluids to the rock surface, which varies due to factors such as mineral heterogeneity, roughness, ageing, and pore-space geometry. It is well known that wettability varies spatially in natural rocks, and it is still generally considered a constant parameter in pore-scale simulation studies. The accuracy of pore-scale simulation of multiphase flow in porous media is undermined by such inadequate wettability models. The advent of in situ visualization techniques, e.g. X-ray imaging and microtomography, enables us to characterize the spatial distribution of wetting more accurately. There are several approaches for such characterization. Most include the construction of a meshed surface of the interface surfaces in a segmented X-ray image and are known to have significant errors arising from insufficient resolution and surface-smoothing algorithms. This work presents a novel approach for spatial determination of wetting properties using local lattice-Boltzmann simulations. The scheme is computationally efficient as the segmented X-ray image is divided into subdomains before conducting the lattice-Boltzmann simulations, enabling fast simulations. To test the proposed method, it was applied to two synthetic cases with known wettability and three datasets of imaged fluid distributions. The wettability map was obtained for all samples using local lattice-Boltzmann calculations on trapped ganglia and optimization on surface affinity parameters. The results were quantitatively compared with a previously developed geometrical contact angle determination method. The two synthetic cases were used to validate the results of the developed workflow, as well as to compare the wettability results with the geometrical analysis method. It is shown that the developed workflow accurately characterizes the wetting state in the synthetic porous media with an acceptable uncertainty and is better to capture extreme wetting conditions. For the three datasets of imaged fluid distributions, our results show that the obtained contact angle distributions are consistent with the geometrical method. However, the obtained contact angle distributions tend to have a narrower span and are considered more realistic compared to the geometrical method. Finally, our results show the potential of the proposed scheme to efficiently obtain wettability maps of porous media using X-ray images of multiphase fluid distributions. The developed workflow can help for more accurate characterization of the wettability map in the porous media using limited experimental data, and hence more accurate digital rock analysis of multiphase flow in porous media.
Dispersion in Shallow Moment Equations
Authors: Scholz Ullika , Kowalski Julia , Torrilhon Manuel 
Published: December 2023

AbstractShallow moment models are extensions of the hyperbolic shallow water equations. They admit variations in the vertical profile of the horizontal velocity. This paper introduces a non-hydrostatic pressure to this framework and shows the systematic derivation of dimensionally reduced dispersive equation systems which still hold information on the vertical profiles of the flow variables. The derivation from a set of balance laws is based on a splitting of the pressure followed by a same-degree polynomial expansion of the velocity and pressure fields in a vertical direction. Dimensional reduction is done via Galerkin projections with weak enforcement of the boundary conditions at the bottom and at the free surface. The resulting equation systems of order zero and one are presented in linear and nonlinear forms for Legendre basis functions and an analysis of dispersive properties is given. A numerical experiment shows convergence towards the resolved reference model in the linear stationary case and demonstrates the reconstruction of vertical profiles.
Increasing the equitability of data citation in paleontology: capacity building for the big data future
Authors: Smith Jansen A. , Raja Nussaïbah B. , Clements Thomas , Dimitrijević Danijela , Dowding Elizabeth M. , Dunne Emma M. , Gee Bryan M. , Godoy Pedro L. , Lombardi Elizabeth M. , Mulvey Laura P. A. , Nätscher Paulina S. , Reddin Carl J. , Shirley Bryan , Warnock Rachel C. M. , Kocsis Ádám T. 
Published: December 2023

AbstractData compilations expand the scope of research; however, data citation practice lags behind advances in data use. It remains uncommon for data users to credit data producers in professionally meaningful ways. In paleontology, databases like the Paleobiology Database (PBDB) enable assessment of patterns and processes spanning millions of years, up to global scale. The status quo for data citation creates an imbalance wherein publications drawing data from the PBDB receive significantly more citations (median: 4.3 ± 3.5 citations/year) than the publications producing the data (1.4 ± 1.3 citations/year). By accounting for data reuse where citations were neglected, the projected citation rate for data-provisioning publications approached parity (4.2 ± 2.2 citations/year) and the impact factor of paleontological journals (n = 55) increased by an average of 13.4% (maximum increase = 57.8%) in 2019. Without rebalancing the distribution of scientific credit, emerging “big data” research in paleontology—and science in general—is at risk of undercutting itself through a systematic devaluation of the work that is foundational to the discipline.
Genome analysis of triple phages that curtails MDR E. coli with ML based host receptor prediction and its evaluation
Authors: Unnikrishnan Vineetha K , Sundaramoorthy Niranjana Sri , Nair Veena G. , Ramaiah Kavi Bharathi , Roy Jean Sophy , Rajendran Malarvizhi , Srinath Sneha , Kumar Santhosh , S Prakash Sankaran , S Suma Mohan , Nagarajan Saisubramanian 
Published: December 2023

AbstractInfections by multidrug resistant bacteria (MDR) are becoming increasingly difficult to treat and alternative approaches like phage therapy, which is unhindered by drug resistance, are urgently needed to tackle MDR bacterial infections. During phage therapy phage cocktails targeting different receptors are likely to be more effective than monophages. In the present study, phages targeting carbapenem resistant clinical isolate of E. coli U1007 was isolated from Ganges River (U1G), Cooum River (CR) and Hospital waste water (M). Capsid architecture discerned using TEM identified the phage families as Podoviridae for U1G, Myoviridae for CR and Siphoviridae for M phage. Genome sequencing showed the phage genomes varied in size U1G (73,275 bp) CR (45,236 bp) and M (45,294 bp). All three genomes lacked genes encoding tRNA sequence, antibiotic resistant or virulent genes. A machine learning (ML) based multi-class classification model using Random Forest, Logistic Regression, and Decision Tree were employed to predict the host receptor targeted by receptor binding protein of all 3 phages and the best performing algorithm Random Forest predicted LPS O antigen, LamB or OmpC for U1G; FhuA, OmpC for CR phage; and FhuA, LamB, TonB or OmpF for the M phage. OmpC was validated as receptor for U1G by physiological experiments. In vivo intramuscular infection study in zebrafish showed that cocktail of dual phages (U1G + M) along with colsitin resulted in a significant 3.5 log decline in cell counts. Our study highlights the potential of ML tool to predict host receptor and proves the utility of phage cocktail to restrict E. coli U1007 in vivo.
Enhanced performance of proton exchange membrane fuel cells by Pt/carbon/antimony-doped tin dioxide triple-junction catalyst
Authors: Tsai Du-Cheng , Kuo Bing-Hau , Chen Hung-Pin , Chen Erh-Chiang , Shieu Fuh-Sheng 
Published: December 2023

AbstractA composite material comprising carbon black and Sb-doped SnO2 (ATO) is employed as a support for a Pt catalyst in a membrane electrode assembly (MEA) to improve the performance of a proton-exchange membrane fuel cell under low-humidity conditions. The effects of Sb-doping on the crystal, structural, and electrochemical characteristics of ATO particles are being examined. In a single cell test, the ratio of Sb in ATO is systematically optimized to improve performance. The distribution of Pt nanoparticles is uniform on carbon black and ATO carrier, forming notable triple-junction points at the interface of carbon black and ATO carrier. This structure thus induces a strong interaction between Pt and ATO, promoting the content of metallic Pt. Compared with a Pt/C catalyst, the best-performing Pt/C–ATO catalyst exhibits superior electrochemical activity, stability, and CO tolerance. The power density of MEA with the Pt/C–ATO catalyst is 15% higher than that of the MEA with the Pt/C catalyst
A unique neuropsychophysiological approach to objectify emotion (dys)regulation in healthy older adults during the COVID-19 pandemic
Authors: Amanzio Martina , Cipriani Giuseppina Elena , Canessa Nicola , Borghesi Francesca , Chirico Alice , Cipresso Pietro 
Published: December 2023

AbstractThe response of older people to the COVID-19 pandemic has attracted much attention as they are at increased risk of adverse outcomes. A longitudinal study has shown that improvement in global cognitive, executive and language functioning in healthy older adults enrolled at the University of the Third Age appears to play a protective role against emotional dysregulation and mood changes during the pandemic. To date, no study has examined emotional dysregulation through COVID-19-related images using facial electromyographic recordings in healthy older adults. Therefore, we aimed to analyze the relationships between zygomaticus and corrugator reactivity, neuropsychological measures, and the affective dimensions of arousal, dominance, and valence. The results showed an unexpected association between higher zygomaticus activity and higher levels of apathy, depression, and anxiety. In contrast, increased contracture of the corrugator was associated with poorer performance on cognitive tests (global cognition, memory, executive functions) and physical status, i.e., walking speed. These results are consistent with the reappraisal of emotional stimuli in response to the challenges of the pandemic. Interestingly, COVID-19-related stimuli triggered the activation of bottom-up affectivity strategies associated with higher mood levels and interacted with top-down factors that play an important role in the dysregulation of cognitive control.
The experience of a tertiary referral center with laparoscopic pyelolithotomy for large renal stones during 18 years
Authors: Kashi Amir Hossein , Simforoosh Nasser , Nouralizadeh Akbar , Ghasemi Seyed Mohammad , Nayebzade Amirhossein , Bonakdar Hashemi Milad , Valipour Reza , Basiri Abbas , Tabibi Ali , Zargar Homayoun , Dadpour Mehdi , Rouientan Hamidreza , Narouie Behzad 
Published: December 2023

AbstractThis study aimed to evaluate the outcomes of laparoscopic pyelolithotomy, including its efficacy and feasibility in treatment of large renal stones. All patients who underwent laparoscopic pyelolithotomy operations in a referral center were enrolled from 2003 to 2020. The final analysis included 436 patients. The total stone free rate was 88.3% and the stone-free rate for staghorn/multiple stones versus other types of stones was 81% vs. 91% (P = 0.002). Likewise, the total operation duration was 158 ± 50 and the operation duration for staghorn/multiple stones versus other types of stones was 171 ± 51 min vs. 153 ± 49 min (P < 0.001). The operation duration (169 ± 51 vs. 155 ± 58 vs. 155 ± 42 min) and hospitalization (4.5 ± 2.3 vs. 4.0 ± 2.2 vs. 3.6 ± 1.8) decreased with increasing the surgeons' experience over time. The outcomes of laparoscopic pyelolithotomy for children versus adults versus geriatric patients and in patients with normal versus abnormal kidney anatomy did not reveal statistically significant differences. Laparoscopic pyelolithotomy could be employed as an alternative surgical approach for patients with large kidney stones of any age or with kidney abnormalities provided that appropriate expertise is available to carry out the procedure.
The impact mechanism of ownership change on university innovation
Authors: Gao Panjun , Li Xing , Zhang Guiyang , Qi Yong 
Published: December 2023

AbstractThe mixed-ownership reform of job invention achievements (MOJIA) is an important exploration of China’s sound long-term incentive mechanism for transforming job-related inventions. Based on the data of MOJIA pilot universities and regions from 2012 to 2022, this paper analyzes the relationship and mechanism between MOJIA and university innovation (UI) in China by combining resource dependence theory and institutional theory. The study found that MOJIA has a promotive effect on UI. The findings continue to hold after using parallel trend tests, lagged regressions, alternative UI measures, endogeneity control, and placebo tests. MOJIA can enhance the technology achievement marketability in the regions where universities are located. Moreover, MOJIA can facilitate the technological achievements marketability by improving UI. Heterogeneity analysis found that the lower the administrative level and the university’s social reputation, the stronger the promotion effect of MOJIA on UI. The research in this paper provides implications for further improving MOJIA.
Synthesis and characterization of lithium-doped copper zinc tin sulfide (CZTS) thin films
Authors: Chand Md. Maruf , Islam Shariful , Ahmed Mohammad Tanvir , Bashar Muhammad Shahriar , Ahmed Farid 
Published: December 2023

The non-toxic nature and remarkable optoelectronic properties of kesterite (Cu2ZnSnS4 and CZTS) make CZTS a potential candidate for solar cell absorber layer material. Since alkali metal doping has shown a performance boost of active layers of solar cells, this work investigates the effects of significant lithium doping on sol-gel-produced CZTS thin films. CZTS- and lithium (Li)-doped CZTS thin films were prepared using the spin coating technique. The variation of structural, morphological, and optical properties of CZTS due to Li-doping has been studied by x-ray diffraction, scanning electron microscopy, and UV–visible spectroscopy techniques. All the synthesized LixCu2−xZnSnS4 (x = 0, 0.2, 0.4, 0.6) films showed fine crystallinity with average crystallite sizes of 4.745, 6.013, 6.255, and 6.404 nm, respectively. The average grain size decreases from 0.336 to 0.310 µm via increasing Li concentration. The inclusion of Li increased the bandgap energy ranges from 1.5 to 1.808 eV. The Li0.6Cu1.4ZnSnS4 thin showed the highest absorption coefficient of 3.505 × 104 cm−1 among all the prepared thin films. A high optical conductivity over 1014 s−1 was observed for CZTS, which further increased with an increased Li concentration. The synthesized structures showed enhanced characteristics suitable for solar cell application.
Improvement in spectral range of Sb
2
Se
3 absorption layer on Bi addition
Authors: Sharma Kalpana , Sharma Vineet 
Published: December 2023

Abstract
Antimony selenide (Sb
2
Se
3) is a versatile material used in solar cells. The alteration in the physical properties of Sb
2
Se
3 alloys on Bi addition has been analysed. (Sb
2
Se
3)100-x

Bi

x
(x = 0, 0.2, 0.4, 0.6, 0.8, 1.0, and 1.2) system has been studied to examine the structural alterations by computing physical parameters. The increase in parameters, i.e., average coordination number 〈Z〉, total number of constraints per atoms (N

c
), and crosslinking density (D

cl
) reflect an increase in rigidity of the Sb
2
Se
3 on Bi incorporation. The computed band gap decreases on Bi addition, from 1.095 eV to 1.079 eV, indicating an approximate increase in absorption wavelength from 1132.42 nm to 1149.21 nm. An increase in rigidity reflects reduction in defect states decreasing the recombination rate within absorption layer. There are variations in cohesive energy, electronegativity, and average single-bond energy. The study reveals that this composition can be utilized to develop novel solar absorber layer materials.
Influence of phase diffusion on atomic grating in a three-level ladder-type system in lower-level microwave-driven scheme
Authors: Saddique Muhammad , Mehmood Asad , Irfan Muhammad , Qamar Sajid , Qamar Shahid 
Published: December 2023

Abstract
In this paper, we consider a scheme for electromagnetically induced grating (EIG) in a three-level ladder-type system. A microwave field of finite bandwidth making a standing-wave pattern is applied on lower levels. In addition, we have also introduced an indirect pump in our system. A weak probe field is then applied to study the effects of phase diffusion associated with the microwave control field on EIG. It is found that phase diffusion associated with the strong microwave control field strongly affect the diffraction. We have incorporated the effect of different system parameters such as the strength of the microwave field, indirect pumping mechanism, interaction length, and detuning in the weak probe field. Interestingly, the stronger microwave control field retrieves the loss in diffraction intensity caused by the phase diffusion. Our results show that the introduction of detuning in the optical probe field results in the enhancement of the phase grating effect. Furthermore, our results show that an optimized indirect pump field can slightly improve the first-order diffraction intensities both in the absence and presence of phase diffusion.
Compressing the atomic cloud in a matter-wave stripe soliton
Authors: Sekh Golam Ali , Talukdar Benoy 
Published: December 2023

Abstract
We consider an attractive quasi-one dimensional spin-orbit coupled Bose–Einstein condensate (SOC BEC) confined in a periodic potential produced by the combination of linear and nonlinear optical lattices, and study the effects of squeezing a stripe soliton by varying the inter-atomic interaction in the nonlinear lattice. It is observed that the nodes on the soliton arising entirely due to the effect of spin–orbit coupling tend to disappear as we increase the squeezing effect to finally get a stable fundamental soliton. This leads us to conclude that external pressure can reduce the effect of spin–orbit coupling in the SOC BEC and even convert the system to a traditional BEC without spin–orbit coupling. We make use of an information theoretic measure to visualize how does the atomic density distribution in the condensate respond to continual reduction in the spin–orbit coupling effect.
Density functional theory and molecular dynamics simulation of water molecules confined between parallel graphene oxide surfaces using new interaction potentials
Authors: Abbaspour Mohsen , Morsali Ali 
Published: December 2023

Abstract
In this study, the interaction potential of water molecule with a graphene oxide (GO) plate containing OH and O groups has been calculated using the M06-2X/6-31g(d,p) level of theory at different orientations and intermolecular distances and fitted to the Born-Huggins-Meyer (BHM) model. There are good agreements between the calculated and the OPLS-AA and Dreiding models, especially for the GO(O)-H2O interactions. To examine the new computed models, we have used the closer potentials to the OPLS-AA and Dreiding models in the molecular dynamics (MD) simulations. We have calculated several properties using the different obtained interaction potentials including average number of hydrogen bonds per water molecule (〈HB〉) between confined water molecules and between water and GO-surfaces, radial distribution function (RDF), self-diffusion coefficient, and angle distribution function of the confined water molecules between the GO plates. Our results showed good agreements between the OPLS-AA and Dreiding models and some calculated potentials. However, some calculated models showed completely different behavior which discussed in details. According to the results, we concluded that the OH-2 and O1-OH2 models show totally better agreement with the famous force fields than the other calculated potentials. This work provides a simple method for the development of new force fields specifically for these types of systems which are in good agreement with the well-known force fields.
Experimental study of the effect of target composition and heat treatment on the Ag deposit on the adhesion of the surfaces used in microelectromechanical systems (MEMS)
Authors: Soleimani Behnam , Kolahdoozan Mojtaba , Salehi Mehdi , Saadat Mohammad , Vahabi Meisam 
Published: December 2023

Abstract
Adhesion force is one of the major factors in MEMS technology specifically during micro assembling via micro grippers. Regarding the light weight of MEMS devices, the contact force between MEMS devices and the microgripper surface causes distinct problems such as sticking the MEMS surface to the microgripper, so the assemble procedure can be affected and microparts not be placed in the right position. so decreasing adhesion force has a significant role in improving micron assembly. Accordingly, in the current research work, the effects of various coating materials, deposition, and annealing temperatures on the surface roughness of microgripper substrate and its morphology are experimentally investigated considering the DC sputtering magnetron method to decrease adhesion force between microgripper substrate and MEMS device. For this purpose, seventeen silicon surfaces were used of which sixteen of them coated and one is non-coated. Deposited substrates can be classified into four groups four of them are deposited with double layers using two kinds of coating materials including Ti/Ag, SiO2/Ag, Ti/Ag-Pd-Cu, and SiO2/Ag-Pd-Cu respectively. After sample deposition, the AFM method was used to measure, the topographic images, the surface roughness, and the adhesion force. Regarding the differences in layers and distinct temperatures, the height and shape of hillocks directly depend on deposition and preheating temperature ranges. So as the deposition and preheating temperature increase, more hillocks grow and the adhesion force is more consequently. to 373 K and 573 K. Additionally, these changes result in changes in adhesion force.
Biomolecule detection using GaAs1−xSbX FET based dielectric modulated label-free biosensor
Authors: Dixit Ankit , Samajdar Dip Prakash , Shukla Rajendra P , Bagga Navjeet , Hossain M Khalid 
Published: December 2023

Abstract
Dielectric Modulated (DM) biosensors are being developed for label-free biosensing based on varying dielectric constants of the cavity region. In this paper, we proposed a GaAs1−xSbx based cylindrical DM biosensor. The chosen device geometry provides enhanced gate control and increases cavity area compared to the planar devices. This bestows larger dwelling space to the biomolecules. In our work, we have investigated the sensing capability of the proposed biosensor for Biotin (k = 2.63), Bacteriophage (k = 6.3), and Gelatin (k = 12); whereas, the proposed study is applicable in all types of biomolecules which are characterized by the dielectric constants. The deviation in the effective oxide thickness (EOT) due to the variation in permittivity of the cavity area modulates the channel conductance and, in turn, ON current and threshold voltages (Vth). Thus, these parameters can be used for analyzing the sensitivity. For the gelatin biomolecule, the maximum computed sensitivity with regard to the OFF to ON current ratio and saturation current is 41.20% and 16.68%, respectively. Further, we also investigated the sensitivity metrics for the charge-carrying biomolecules using trap models employed in TCAD simulations.