bluuebunny/crossref_metadata_2025 huggingface dataset:
Ce-mediated molecular tailoring on gigantic polyoxometalate {Mo132} into half-closed {Ce11Mo96} for high proton conduction
Authors: Li Xue-Xin , Li Cai-Hong , Hou Ming-Jun , Zhu Bo , Chen Wei-Chao , Sun Chun-Yi , Yuan Ye , Guan Wei , Qin Chao , Shao Kui-Zhan , Wang Xin-Long , Su Zhong-Min
Published: August 2023

Precise synthesis of polyoxometalates (POMs) is important for the fundamental understanding of the relationship between the structure and function of each building motif. However, it is a great challenge to realize the atomic-level tailoring of specific sites in POMs without altering the major framework. Herein, we report the case of Ce-mediated molecular tailoring on gigantic {Mo132}, which has a closed structural motif involving a never seen {Mo110} decamer. Such capped wheel {Mo132} undergoes a quasi-isomerism with known {Mo132} ball displaying different optical behaviors. Experiencing an ‘Inner-On-Outer’ binding process with the substituent of {Mo2} reactive sites in {Mo132}, the site-specific Ce ions drive the dissociation of {Mo2*} clipping sites and finally give rise to a predictable half-closed product {Ce11Mo96}. By virtue of the tailor-made open cavity, the {Ce11Mo96} achieves high proton conduction, nearly two orders of magnitude than that of {Mo132}. This work offers a significant step toward the controllable assembly of POM clusters through a Ce-mediated molecular tailoring process for desirable properties.
Programmable supramolecular chirality in non-equilibrium systems affording a multistate chiroptical switch
Authors: Li Jingjing , Cui Yihan , Lu Yi-Lin , Zhang Yunfei , Zhang Kaihuang , Gu Chaonan , Wang Kaifang , Liang Yujia , Liu Chun-Sen
Published: August 2023

The dynamic regulation of supramolecular chirality in non-equilibrium systems can provide valuable insights into molecular self-assembly in living systems. Herein, we demonstrate the use of chemical fuels for regulating self-assembly pathway, which thereby controls the supramolecular chirality of assembly in non-equilibrium systems. Depending on the nature of different fuel acids, the system shows pathway-dependent non-equilibrium self-assembly, resulting in either dynamic self-assembly with transient supramolecular chirality or kinetically trapped self-assembly with inverse supramolecular chirality. More importantly, successive conducting of chemical-fueled process and thermal annealing process allows for the sequential programmability of the supramolecular chirality between four different chiral hydrogels, affording a new example of a multistate supramolecular chiroptical switch that can be recycled multiple times. The current finding sheds new light on the design of future supramolecular chiral materials, offering access to alternative self-assembly pathways and kinetically controlled non-equilibrium states.
Doubly N-confused and ring-contracted [24]hexaphyrin Pd-complexes as stable antiaromatic N-confused expanded porphyrins
Authors: Luo Fuying , Liu Le , Wu Han , Xu Ling , Rao Yutao , Zhou Mingbo , Osuka Atsuhiro , Song Jianxin
Published: August 2023

As isomers of the regular porphyrins, N-confused porphyrins have attracted extensive attention of chemists because of their unique chemical structures, chemical reactivities, and physical properties, which result in their promising applications in the fields of catalytic chemistry, biochemistry and material science. Typically, N-confused porphyrins are synthesized via acid catalyzed condensation and following oxidation during which lactams are often formed as the byproducts. Here we report doubly N-confused and ring-contracted [24]hexaphyrin(1.1.0.1.1.0) mono- and bis-Pd-complexes as stable antiaromatic N-confused expanded porphyrins, which are synthesized through Pd-catalyzed Suzuki-Miyaura coupling of 1,14-dibromotripyrrin. These macrocycles show a paratropic ring currents, an ill-defined Soret band, a red-shifted weak absorption tail, and a small HOMO-LUMO gap. NBS bromination of the bis Pd-complex give its mono- and dibromides regioselectively, which are effectively used to synthesize a [24]hexaphyrin dimer and a NiII porphyrin-[24]hexaphyrin-NiII porphyrin triad, respectively.
Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing
Authors: Li Lenong , Peng Xubiao , Batliwala Mansoor , Bouvier Marlene
Published: August 2023

Studies have suggested that MHC class I (MHC I) molecules fluctuate rapidly between numerous conformational states and these motions support peptide sampling. To date, MHC I intermediates are largely uncharacterized experimentally and remain elusive. Here, we present x-ray crystal structures of HLA-B8 loaded with 20mer peptides that show pronounced distortions at the N-terminus of the groove. Long stretches of N-terminal amino acid residues are missing in the electron density maps creating an open-ended groove. Our structures also reveal highly unusual features in MHC I-peptide interaction at the N-terminus of the groove. Molecular dynamics simulations indicate that the complexes have varying degrees of conformational flexibility in a manner consistent with the structures. We suggest that our structures have captured the remarkable molecular dynamics of MHC I-peptide interaction. The visualization of peptide-dependent conformational motions in MHC I is a major step forward in our conceptual understanding of dynamics in high-affinity peptide selection.
Sub-second ultrafast yet programmable wet-chemical synthesis
Authors: Zhang Lin , Peng Li , Lu Yuanchao , Ming Xin , Sun Yuxin , Xu Xiaoyi , Xia Yuxing , Pang Kai , Fang Wenzhang , Huang Ning , Xu Zhen , Ying Yibin , Liu Yingjun , Fu Yingchun , Gao Chao
Published: August 2023

Wet-chemical synthesis via heating bulk solution is powerful to obtain nanomaterials. However, it still suffers from limited reaction rate, controllability, and massive consumption of energy/reactants, particularly for the synthesis on specific substrates. Herein, we present an innovative wet-interfacial Joule heating (WIJH) approach to synthesize various nanomaterials in a sub-second ultrafast, programmable, and energy/reactant-saving manner. In the WIJH, Joule heat generated by the graphene film (GF) is confined at the substrate-solution interface. Accompanied by instantaneous evaporation of the solvent, the temperature is steeply improved and the precursors are concentrated, thereby synergistically accelerating and controlling the nucleation and growth of nanomaterials on the substrate. WIJH leads to a record high crystallization rate of HKUST-1 (~1.97 μm s−1), an ultralow energy cost (9.55 × 10−6 kWh cm−2) and low precursor concentrations, which are up to 5 orders of magnitude faster, −6 and −2 orders of magnitude lower than traditional methods, respectively. Moreover, WIJH could handily customize the products’ amount, size, and morphology via programming the electrified procedures. The as-prepared HKUST-1/GF enables the Joule-heating-controllable and low-energy-required capture and liberation towards CO2. This study opens up a new methodology towards the superefficient synthesis of nanomaterials and solvent-involved Joule heating.
Non-linear finite element modeling of damages in bridge piers subjected to lateral monotonic loading
Authors: Ahmad Aizaz , Ahmed Awais , Iqbal Mudassir , Ali Syed Muhammad , Khan Ghufranullah , Eldin Syed M. , Yosri Ahmed. M.
Published: August 2023

Bridges are among the most vulnerable structures to earthquake damage. Most bridges are seismically inadequate due to outdated bridge design codes and poor construction methods in developing countries. Although expensive, experimental studies are useful in evaluating bridge piers. As an alternative, numerical tools are used to evaluate bridge piers, and many numerical techniques can be applied in this context. This study employs Abaqus/Explicit, a finite element program, to model bridge piers nonlinearly and validate the proposed computational method using experimental data. In the finite element program, a single bridge pier having a circular geometry that is being subjected to a monotonic lateral load is simulated. In order to depict damages, Concrete Damage Plasticity (CDP), a damage model based on plasticity, is adopted. Concrete crushing and tensile cracking are the primary failure mechanisms as per CDP. The CDP parameters are determined by employing modified Kent and Park model for concrete compressive behavior and an exponential relation for tension stiffening. The performance of the bridge pier is investigated using an existing evaluation criterion. The influence of the stress–strain relation, the compressive strength of concrete, and geometric configuration are taken into consideration during the parametric analysis. It has been observed that the stress–strain relation, concrete strength, and configuration all have a significant impact on the column response.
Trends in recurrence of primary spontaneous pneumothorax in young population after treatment for first episode based on a nationwide population data
Authors: Yi Eunjue , Park Jun Eun , Chung Jae Ho , Ahn Chi Bum , Chung Eugene , Noh O Kyu , Lee Sungho
Published: August 2023

The aim of this study is to identifying post treatment recurrence rates in pneumothorax patients under 35 and without any comorbidities according to the treatment types, gender, and age categories based on nationwide population data. Clinical information of pneumothorax patients was extracted from the Korean National Health Insurance Service (NHIS) database between January 2002 and December 2020. Enrolled patients were categorized into two groups; (1) Group I, those who underwent conservative management including pain relief, oxygen therapy, and closed thoracostomy, and (2) Group II, surgical intervention. Recurrence rates were compared according to age, gender, and type of treatment. Surgical intervention was performed in 25.6% patients as first treatment. The overall recurrence rate was 20.3%. Male patients showed a higher 5-year recurrence rate than female (20.8% vs. 10.9%, p < 0.001). Those with conservative management showed lower 5-year recurrence rates than those with surgical treatment (7.9% vs. 23.7%, p < 0.001). The 5-year recurrence rates of patients aged 14≤, and < 20 was higher than other age groups (29.2% vs. 4.5 and 11.9%, p < 0.001). Surgical intervention, male gender and aged under 20 showed association with higher recurrence rates.
Enhancing water access monitoring through mapping multi-source usage and disaggregated geographic inequalities with machine learning and surveys
Authors: Geleijnse Jan , Rutten Martine , de Villiers Didier , Bamwenda James Tayebwa , Abraham Edo
Published: August 2023

Monitoring safe water access in developing countries relies primarily on household health survey and census data. These surveys are often incomplete: they tend to focus on the primary water source only, are spatially coarse, and usually happen every 5-10 years, during which significant changes can happen in urbanisation and infrastructure provision, especially in sub Saharan Africa. In this work, we present a data-driven approach that utilises and compliments survey based data of water access, to provide context-specific and disaggregated monitoring. The level of access to improved water and sanitation has been shown to vary with geographical inequalities related to the availability of water resources and terrain, population density and socio-economic determinants such as income and education. We use such data and successfully predict the level of water access in areas for which data is lacking, providing spatially explicit and community level monitoring possibilities for mapping geographical inequalities in access. This is showcased by applying three machine learning models that use such geographical data to predict the number of presences of water access points of eight different access types across Uganda, with a 1km by 1km grid resolution. Two Multi-Layer-Perceptron (MLP) models and a Maximum Entropy (MaxEnt) model are developed and compared, where the former are shown to consistently outperform the latter. The best performing Neural Network model achieved a True Positive Rate of 0.89 and a False Positive Rate of 0.24, compared to 0.85 and 0.46 respectively for the MaxEnt model. The models improve on previous work on water point modeling through the use of neural networks, in addition to introducing the True Positive - and False Positive Rate as better evaluation metrics to also assess the MaxEnt model. We also present a scaling method to move from predicting only the relative probability of water point presences, to predicting the absolute number of presences. To challenge both the model results and the more standard health surveys, a new household level survey is carried out in Bushenyi, a mid-sized town in the South-West of Uganda, asking specifically about the multitude of water sources. On average Bushenyi households reported to use 1.9 water sources. The survey further showed that the actual presence of a source, does not always imply that it is used. Therefore it is no option to rely solely on models for water access monitoring. For this, household surveys remain necessary but should be extended with questions on the multiple sources that are used by households.
A spatial regression analysis of Colombia’s narcodeforestation with factor decomposition of multiple predictors
Authors: Rivadeneyra Perla , Scaccia Luisa , Salvati Luca
Published: August 2023

In the current accelerated process of global warming, forest conservation is becoming more difficult to address in developing countries, where woodlands are often fueling the illegal economy. In Colombia, the issue of narcodeforestation is of great concern, because of the ramification of narcoactivities that are affecting forests, such as agribusinesses and cattle ranching for money laundering. In this study, we use spatially explicit regressions incorporating a factor decomposition of predictors through principal component analysis to understand the impact of coca plantations on global and local-scale deforestation in Colombia. At national level we find a positive and statistically significant relationship between coca crops and deforestation. At the regional level, in two out of four regions, it appears that coca is causing deforestation, especially in the Department of Northern Santander and on the Pacific coast. The spatial models used reveal not only a direct effect but also positive and significant spillover effects, in line with the conjecture that narcodeforestation is not only due to the quest for new areas to expand coca-cultivation, which would determine a loss of forest only in the municipality where coca cultivation increases, but also to the need to launder illegal profits, or create clandestine routes and airplane strips, which can affect forests also in nearby municipalities.
Transperineal vs transrectal magnetic resonance and ultrasound image fusion prostate biopsy: a pair-matched comparison
Authors: Kaneko Masatomo , Medina Luis G. , Lenon Maria Sarah L. , Hemal Sij , Sayegh Aref S. , Jadvar Donya S. , Ramacciotti Lorenzo Storino , Paralkar Divyangi , Cacciamani Giovanni E. , Lebastchi Amir H. , Salhia Bodour , Aron Manju , Hopstone Michelle , Duddalwar Vinay , Palmer Suzanne L. , Gill Inderbir S. , Abreu Andre Luis
Published: August 2023

The objective of this study was to compare transperineal (TP) versus transrectal (TR) magnetic resonance imaging (MRI) and transrectal ultrasound (TRUS) fusion prostate biopsy (PBx). Consecutive men who underwent prostate MRI followed by a systematic biopsy. Additional target biopsies were performed from Prostate Imaging Reporting & Data System (PIRADS) 3–5 lesions. Men who underwent TP PBx were matched 1:2 with a synchronous cohort undergoing TR PBx by PSA, Prostate volume (PV) and PIRADS score. Endpoint of the study was the detection of clinically significant prostate cancer (CSPCa; Grade Group ≥ 2). Univariate and multivariable analyses were performed. Results were considered statistically significant if p < 0.05. Overall, 504 patients met the inclusion criteria. A total of 168 TP PBx were pair-matched to 336 TR PBx patients. Baseline demographics and imaging characteristics were similar between the groups. Per patient, the CSPCa detection was 2.1% vs 6.3% (p = 0.4) for PIRADS 1–2, and 59% vs 60% (p = 0.9) for PIRADS 3–5, on TP vs TR PBx, respectively. Per lesion, the CSPCa detection for PIRADS 3 (21% vs 16%; p = 0.4), PIRADS 4 (51% vs 44%; p = 0.8) and PIRADS 5 (76% vs 84%; p = 0.3) was similar for TP vs TR PBx, respectively. However, the TP PBx showed a longer maximum cancer core length (11 vs 9 mm; p = 0.02) and higher cancer core involvement (83% vs 65%; p < 0.001) than TR PBx. Independent predictors for CSPCa detection were age, PSA, PV, abnormal digital rectal examination findings, and PIRADS 3–5. Our study demonstrated transperineal MRI/TRUS fusion PBx provides similar CSPCa detection, with larger prostate cancer core length and percent of core involvement, than transrectal PBx.
Clinical outcome of rim-plate-augmented separate vertical wiring with supplementary fixation for the treatment of patellar fracture associated comminuted inferior pole
Authors: Cho Won-Tae , Sakong Seungyeob , Sunwoo Jung , Choi Wonseok , Ryu Yun-Ki , Choi Jeong-Seok , Oh Jong-Keon , Kim Beom-Soo , Cho Jae-Woo
Published: August 2023

Despite the variety of treatment methods, comminuted inferior pole fractures of the patella remain difficult and technically demanding to achieve stable internal fixation. The purpose of this study is to evaluate the clinical outcomes of rim plate-augmented separate vertical wiring with supplementary fixation in the management of comminuted inferior pole fractures, AO/OTA 34-A1, C2, and C3, which has the secondary horizontal fracture line on lower articular boundary. From our study, bony union was achieved in all patients at an average of 3.1 ± 1.4 months after surgery. There was no patient with loss of reduction, fixation failure, or infection during follow-up. The average final range of motion was 131.6° ± 7.2°. Lysholm knee scores gradually increased over 3, 6, 9, and 12 months postoperatively by 58.7, 74.0, 82.9, and 89.4, respectively. Isokinetic peak torque deficit of the knee extensor muscles in 3, 6, 9, and 12 months postoperatively was 59.9%, 49.7%, 35.7%, and 28.1%, respectively. The rim plate-augmented separate vertical wiring with supplementary fixation for the treatment of patellar fracture associated comminuted inferior pole is effective and can be safely applied AO/OTA 34-C2 or C3 with favorable outcomes.
Micromagnetic insights on in-plane magnetization rotation and propagation of magnetization waves in nanowires
Authors: Shadman Abir , Zhu Jian-Gang
Published: August 2023

Utilizing micromagnetic modeling, we have explained the unprobed characteristics of 360° full cycle in-plane magnetization rotation and the resulting propagation of a magnetization wave along a ferromagnet nanowire. The magnetization wave, which is generated by setting off spin oscillation at one end of a ferromagnetic strip, propagates till the end of the wire. A perpendicular spin torque oscillator (STO) could generate magnetization rotation at one end of the ferromagnetic strip that is also part of the STO. Our results demonstrate that the oscillation frequency of the spins along the wire maintains excellent fidelity while the spatial wavelength of the magnetic wave increases. The driving mechanism behind the propagation of the wave is found to be exchange-springs, which enables the propagation of the wave without the need for a 'carrier' force, such as spin-transfer torque (STT) or spin Hall effect (SHE). Furthermore, we demonstrate that the gradient of the exchange energy drives the magnetic wave forward, while the in and out of plane anisotropy fields govern the shape of spin oscillation trajectories along the wire. Additionally, we show that stopping the oscillation at the STO end causes the wave to cease propagation after relaxation, and altering the STO rotational chirality leads to merging and annihilating domain walls of opposite winding numbers.
Predicting unplanned readmission due to cardiovascular disease in hospitalized patients with cancer: a machine learning approach
Authors: Han Sola , Sohn Ted J. , Ng Boon Peng , Park Chanhyun
Published: August 2023

Cardiovascular disease (CVD) in cancer patients can affect the risk of unplanned readmissions, which have been reported to be costly and associated with worse mortality and prognosis. We aimed to demonstrate the feasibility of using machine learning techniques in predicting the risk of unplanned 180-day readmission attributable to CVD among hospitalized cancer patients using the 2017–2018 Nationwide Readmissions Database. We included hospitalized cancer patients, and the outcome was unplanned hospital readmission due to any CVD within 180 days after discharge. CVD included atrial fibrillation, coronary artery disease, heart failure, stroke, peripheral artery disease, cardiomegaly, and cardiomyopathy. Decision tree (DT), random forest, extreme gradient boost (XGBoost), and AdaBoost were implemented. Accuracy, precision, recall, F2 score, and receiver operating characteristic curve (AUC) were used to assess the model’s performance. Among 358,629 hospitalized patients with cancer, 5.86% (n = 21,021) experienced unplanned readmission due to any CVD. The three ensemble algorithms outperformed the DT, with the XGBoost displaying the best performance. We found length of stay, age, and cancer surgery were important predictors of CVD-related unplanned hospitalization in cancer patients. Machine learning models can predict the risk of unplanned readmission due to CVD among hospitalized cancer patients.
Humidifying, heating and trap-density effects on triple-cation perovskite solar cells
Authors: Yadegari Leila , Rastegar Moghadamgohari Zahra , Zarabinia Nazila , Rasuli Reza
Published: August 2023

The effect of moisture and heat are important challenges in perovskite solar cells (PSCs). Herein we studied the performance of triple-cation PSCs in different operating environmental conditions. Humidified cells exhibited a hopeful character by increasing the open-circuit voltage (VOC) and short-circuit current density (JSC) to 940 mV and 22.85 mA cm−2 with a power conversion efficiency (PCE) of 14.34%. In addition, further analyses showed that hysteresis index and charge transfer resistance decrease down to 0.4% and 1.67 kΩ. The origin of superior stability is ion segregation to the interface, which removes the antisite defect states. Finally, the effect of operating temperature and trap density on structure and performance was also studied systematically.
Plasmodium falciparum formins are essential for invasion and sexual stage development
Authors: Collier Sophie , Pietsch Emma , Dans Madeline , Ling Dawson , Tavella Tatyana A. , Lopaticki Sash , Marapana Danushka S. , Shibu Mohini A. , Andrew Dean , Tiash Snigdha , McMillan Paul J. , Gilson Paul , Tilley Leann , Dixon Matthew W. A.
Published: August 2023

The malaria parasite uses actin-based mechanisms throughout its lifecycle to control a range of biological processes including intracellular trafficking, gene regulation, parasite motility and invasion. In this work we assign functions to the Plasmodium falciparum formins 1 and 2 (FRM1 and FRM2) proteins in asexual and sexual blood stage development. We show that FRM1 is essential for merozoite invasion and FRM2 is required for efficient cell division. We also observed divergent functions for FRM1 and FRM2 in gametocyte development. Conditional deletion of FRM1 leads to a delay in gametocyte stage progression. We show that FRM2 controls the actin and microtubule cytoskeletons in developing gametocytes, with premature removal of the protein resulting in a loss of transmissible stage V gametocytes. Lastly, we show that targeting formin proteins with the small molecule inhibitor of formin homology domain 2 (SMIFH2) leads to a multistage block in asexual and sexual stage parasite development.
Contrasting response of soil microbiomes to long-term fertilization in various highland cropping systems
Authors: Kong Weibo , Qiu Liping , Ishii Satoshi , Jia Xiaoxu , Su Fuyuan , Song Yu , Hao Mingde , Shao Mingan , Wei Xiaorong
Published: August 2023

Soil microbiomes play important roles in supporting agricultural ecosystems. However, it is still not well-known how soil microbiomes and their functionality respond to fertilization in various cropping systems. Here we examined the effects of 36 years of phosphorus, nitrogen, and manure application on soil bacterial communities, functionality and crop productivity in three contrasting cropping systems (i.e., continuous leguminous alfalfa (AC), continuous winter wheat (WC), and grain-legume rotation of winter wheat + millet - pea - winter wheat (GLR)) in a highland region of China’s Loess Plateau. We showed that long-term fertilization significantly affected soil bacterial communities and that the effects varied with cropping system. Compared with the unfertilized control, fertilization increased soil bacterial richness and diversity in the leguminous AC system, whereas it decreased those in the GLR system. Fertilization, particularly manure application, enlarged the differences in soil bacterial communities among cropping systems. Soil bacterial communities were mostly affected by the soil organic carbon and nitrogen contents in the WC and GLR systems, but by the soil available phosphorous content in the AC system. Crop productivity was closely associated with the abundance of fertilization-responsive taxa in the three cropping systems. Our study highlights that legume and non-legume cropping systems should be disentangled when assessing the responses of soil microbial communities to long-term fertilizer application.
Piezoelectricity and valley polarization in a semilithiated 2H-TiTe2 monolayer with near room-temperature ferromagnetism
Authors: Sheng Kang , Zhang Bokai , Wang Zhi-Yong
Published: August 2023

A semilithiated 2H-TiTe2 monolayer has theoretically been identified as a near-room semiconducting ferromagnet with coupled valley physics and piezoelectric responses.
Transfer learning on large datasets for the accurate prediction of material properties
Authors: Hoffmann Noah , Schmidt Jonathan , Botti Silvana , Marques Miguel A. L.
Published: August 2023

Pretraining on large, lower-fidelity datasets enables extremely effective training of graph neural networks on smaller, high-fidelity datasets.
Legionella pneumophila occurrence in reduced-occupancy buildings in 11 cities during the COVID-19 pandemic
Authors: Dowdell Katherine S. , Healy Hannah Greenwald , Joshi Sayalee , Grimard-Conea Marianne , Pitell Sarah , Song Yang , Ley Christian , Kennedy Lauren C. , Vosloo Solize , Huo Linxuan , Haig Sarah-Jane , Hamilton Kerry A. , Nelson Kara L. , Pinto Ameet , Prévost Michèle , Proctor Caitlin R. , Raskin Lutgarde , Whelton Andrew J. , Garner Emily , Pieper Kelsey J. , Rhoads William J.
Published: August 2023

Legionella pneumophila was quantified during the COVID-19 pandemic in 26 buildings in three countries to identify factors that influenced positivity.
Sustainable high-efficiency removal of cationic and anionic dyes using new super adsorbent biochar: performance, isotherm, kinetic and thermodynamic evaluation
Authors: Mosaffa Elias , Banerjee Atanu , Ghafuri Hossein
Published: August 2023

A green, environment-friendly, inexpensive non-modified biochar was employed for removal of unparalleled pH sensitive cationic and anionic dyes from wastewater.
Zn-mediated electrochemical α-alkylation of amines with halogenated alkanes through convergent paired electrolysis
Authors: Zhan Xiaoyu , Liu Hongyu , Liu Rui , Huang Yanmin , Peng Yungui
Published: August 2023

A green and sustainable electrochemical strategy for α-alkylation of tertiary amines with halogenated alkanes was established through the interaction of imine ions generated at the anode with alkyl zinc reagents generated at the cathode.
Dehydrogenative silylation of cellulose in ionic liquid
Authors: Hirose Daisuke , Kusuma Samuel Budi Wardhana , Yoshizawa Akina , Wada Naoki , Takahashi Kenji
Published: August 2023

A new homogenous silylation method of cellulose is developed by mixing it with monohydrosilane in an ionic liquid.
Bridging the gap between tumor-on-chip and clinics: a systematic review of 15 years of studies
Authors: Bouquerel Charlotte , Dubrova Anastasiia , Hofer Isabella , Phan Duc T. T. , Bernheim Moencopi , Ladaigue Ségolène , Cavaniol Charles , Maddalo Danilo , Cabel Luc , Mechta-Grigoriou Fatima , Wilhelm Claire , Zalcman Gérard , Parrini Maria Carla , Descroix Stéphanie
Published: August 2023

We present a multidisciplinary perspective by bringing together physicists, biologists, clinicians, and experts from pharmaceutical companies. We conducted an extensive systematic analysis of publications related to tumor-on-chip.
High-performance photocatalysts for overall water splitting: type-II WSi2N4/MoSi2N4 heterostructures
Authors: Bao Jiading , Wang Ye , Liu Xiaodong , Zhao Rui , Yu Jiabing , Chen Xianping
Published: August 2023

We have conducted first-principles calculations to reveal type-II vdW heterostructures WSi2N4/MoSi2N4 with high catalytic performance, focusing on the excellent optoelectronic properties of the MA2Z4 family of 2D materials.
Mechanistic insights into chloramphenicol-mediated inactivation of cytochrome P450 enzymes and their active site mutants
Authors: Kamel Emadeldin M. , Tawfeek Ahmed M. , El-Bassuony Ashraf A. , Lamsabhi Al Mokhtar
Published: August 2023

Mechanistic aspects of the mechanism-based inactivation of cytochrome P450 enzymes by chloramphenicol.
A densely packed air-stable free-standing film with FeP nanoparticles@C@P-doped reduced graphene oxide for sodium-ion batteries
Authors: Park Seungman , Kim Chae Won , Lee Kyu Sang , Hwang Seon Jae , Piao Yuanzhe
Published: August 2023

Developing a facile strategy which enhances the structural stability and air/moisture stability of transition metal phosphides for practical applications is important but challenging.
Tuning Au/SiO2 nanostructures from 1D to 3D interconnected nanotube networks using polycarbonate porous templates
Authors: Drault Fabien , Ferain Etienne , Lisboa Milena Chagas , Hermans Sophie , Demoustier-Champagne Sophie
Published: August 2023

From 1D to 3D interconnected Au/SiO2 nanotube networks using a highly flexible and scalable approach combining a template-based method with sol–gel and electroless deposition.
Ortho-Selective amination of arene carboxylic acids via rearrangement of acyl O-hydroxylamines
Authors: Gillespie James E. , Lam Nelson Y. S. , Phipps Robert J.
Published: August 2023

Aromatic acyl O-hydroxylamines, synthesised in one straightforward step, undergo rearrangement under simple conditions to give ortho-aminated arenes. For benzoic acid-derived substrates, this leads directly to unprotected anthranilic acids.
Multi-target amyloid probing and inhibition using basic orange fluorescence
Authors: Tang Yijing , Zhang Dong , Gong Xiong , Zheng Jie
Published: August 2023

Novel fluorescent BO21 is discovered as a versatile “dual-function, multi-target” amyloid probe and inhibitor for detecting and preventing amyloid aggregates of different sequences (Aβ, hIAPP, or hCT) and sizes (monomers, oligomers, or fibrils).
A review on recent trends in selective hydrodeoxygenation of lignin derived molecules
Authors: Tillou Jake G. , Ezeorah Chigozie J. , Kuchta Joseph J. , Dissanayake Mudiyanselage Sachini C. D. , Sitter James D. , Vannucci Aaron K.
Published: August 2023

A review on the selective catalytic hydrodeoxygenation of lignin biomass derived compounds. The focus is on recent reports which highlight achievements in selectively and reactivity trends which lead to deoxygenated aromatic products.
The Use of Simulation in Audiology Education: A Systematic Review
Authors: Alanazi Ahmad A. , Nicholson Nannette
Published: August 2023

Purpose:

This study aimed to assess the level and quality of evidence supporting the use of simulation in audiology education regarding enhanced knowledge, skills, self-confidence, and satisfaction.

Method:

A systematic review of qualitative and quantitative peer-reviewed literature published between 2000 and 2023 was conducted. The PICO mnemonic (where P = population, I = intervention, C = comparison, and O = outcomes) was used to frame the clinical question and generate search terms. Search strategies were executed in seven databases. The Preferred Reporting Items for Systematic Reviews and Meta-Analyses guidelines were used to track the peer-reviewed literature identification and selection process. The Joanna Briggs Institute Critical Appraisal Checklists and Levels of Evidence were used to characterize the research studies.

Results:

A total of 668 records were identified. Nineteen peer-reviewed publications met the inclusion criteria. Diverse study designs, interventions, assessment techniques, and simulation types were identified. Characteristics of included studies (e.g., author, year, study purpose) were reported by evidence tables. Primary and secondary outcomes were identified and described. Results indicate statistical and/or clinically significant improvements in knowledge, skills, and/or self-confidence following simulation training. Each study was critically appraised, and the level, quality, and strength were assigned.

Conclusions:

The use of simulation as an educational method among audiology students has been shown to dramatically increase knowledge, skills, and self-confidence. However, the use of simulation in audiology education is still behind compared to other health professions. As a result, there are a limited number of simulation-based studies in audiology. Most health academic institutions have well-designed simulation centers; therefore, audiology programs are urged to collaborate with colleagues in other professions and benefit from the services offered by these facilities.
Debris-flow monitoring with high-frequency LiDAR scanners: A new method to infer the internal dynamics of debris flows
Authors: Aaron Jordan , Spielmann Raffaele , McArdell Brian W. , Graf Christoph
Published: August 2023

In-situ measurements of debris-flow properties are crucial for understanding their movement mechanisms and quantifying their impact. Here we present the first results of a field monitoring campaign, at Illgraben, Switzerland, to measure debris-flow parameters using high temporal (10 Hz) and spatial resolution LiDAR sensors at several locations along the channel. The point cloud data is projected onto video images to enhance visualization and aid in the interpretation of the measurements. We process the data using machine vision and deep learning based algorithms, and show that this system can accurately measure front and flow surface velocity, flow depth and bed elevation change, as well as the size, style of motion (e.g. rotating or floating without rotation) and trajectories of individual particles. This system thus provides a promising new method for inferring the internal dynamics of debris flows.
Effects of flow-bed interactions on barrier impact
Authors: De Silva Weerakonda Arachchige Roanga K. , Liu Haiming , Choi Clarence Edward , Ng Charles Wang Wai
Published: August 2023

Debris flow mobility is governed by complex interactions at the flow-bed interface. These interactions may cause flow bulking and increase in momentum. Both factors need to be considered for the design of barriers installed along the flow path. In this study, channelized debris flow over a wet erodible bed impacting a terminal flexible barrier is modelled in a 28-m-long and 2-m-wide flume facility with 20o slope inclination in Hong Kong. Tests with flow volumes of 6 m3 and 9 m3 overriding both erodible and non-erodible beds are conducted. The change in normalised flow energy over the erodible bed section, the change in flow momentum and the impact dynamics on the terminal barrier is assessed.
Mass exchange between geophysical flows and beds: Idealised computational modelling using a Herschel-Bulkley rheology
Authors: Goodwin Saoirse Robin , Piton Guillaume , Chambon Guillaume
Published: August 2023

A key mechanism by which geophysical flows evolve is mass exchange with the underlying bed, either by entraining material from the bed, or by depositing material. Although it is known that some consequences of these mass exchange processes include changes in the volume, momentum and local rheology of the flow, the circumstances under which specific changes occur are not well-established. Given the enormous number of competing mechanisms present in geophysical flows, it is not surprising that the state of the art for modelling entrainment is essentially still empirical. In this study, we implement a Herschel-Bulkley (non-Newtonian) rheology into an existing open-source Smoothed Particle Hydrodynamics solver (DualSPHysics). This rheology can reasonably represent clay-rich flows, typical of those observed in the French Prealps. We hence undertake a highly-idealised, quantitative investigation of entrainment mechanisms for flows overriding non-fixed beds. For the beds, we vary the yield stress and the depth. Preliminary results reveal a rich variety of behaviours that can be obtained for different bed properties, including both acceleration and deceleration of the flow material. These mechanisms are reminiscent (but not identical) of observations from other studies where geo-materials were used.
Experimental study on the effects of local sediment accumulation on a debris flow surge in a steep channel
Authors: Takayama Shoki , Hayashi Naoya , Imaizumi Fumitoshi
Published: August 2023

Debris flow surges can terminate in a steep channel of > 15°. However, the termination process and mechanisms remain unknown. This study conducted small-scale flume experiments to investigate the effects of local sediment accumulation on debris-flow surges in a steep channel. The experiments demonstrated that local accumulation of bed sediment terminates a debris flow surge owing to abrupt changes in bed gradients and infiltration of debris flow interstitial water. Subsequently, the mass of the terminated debris-flow surge and bed sediment began to move, triggering a larger debris-flow surge. This result suggests that predicting the scale of a debris flow arriving downstream requires measuring the distribution of bed sediment in the debris flow initiation zone.
Object Impacted and Transported by Dry Granular Flow: 3D MPM-SDEM
Authors: Ji Wei , Liang Zhengyu , Choi Clarence Edward
Published: August 2023

Granular geophysical flows pose a significant threat to human lives and infrastructure in mountainous regions globally. Property and victims impacted by these flows often get carried away and buried. Quickly locating the potential location of victims is critical for post-disaster recovery and rescue. However, the trajectory of object impacted by granular flows is difficult to predict because of the scale disparity between the sizes of granular particles and the object being transported. To deal with this multi-scale problem, a continuum-discrete solver, specifically the material-discrete element method (MPM-SDEM), was developed to simulate the trajectory of a cube (the object) impacted by a dry granular flow. Simulated results are used to understand the trajectory of objects under different flow and impact dynamics.
Influence of approach shape of debris flow on impact load subjected to open Sabo dam under an overturning experiment of open Sabo dam
Authors: Miyahara Yuta , Horiguchi Toshiyuki , Komatsu Yoshiharu
Published: August 2023

Recently high intensity rainfall disaster induces some structural failure of steel pipe open Sabo dam. To prevent such failure of the dam, a new design concept is necessary at the severe load exceeding the present design load. However, influence of debris flow impact load on steel pipe open Sabo dam is not clear to make a design load. The study experimentally approaches a vertical load distribution shape and its time history based on comparison with a wedge approach shape or a front boulder concentrated shape. The load and moment action of a front boulder concentrated shape debris flow is greater than that of a wedge approach shape. Mechanism making the difference is made clear by observation of vertical detail measurement of impact load.
Statistical Modelling of Sediment Supply in Torrent Catchments of the Northern French Alps
Authors: Morel Maxime , Piton Guillaume , Kuss Damien , Evin Guillaume , Le Bouteiller Caroline
Published: August 2023

The ability to understand and predict sediment transport in torrent catchments is a key element for the protection and prevention against the associated hazards. In this study, we collected data describing sediment supply at 100 torrential catchments in the Northern French Alps. These catchments have long records of past events and sediment supply due to debris deposition basin management enabling estimation of sediment supply frequency. The mean annual, the 10-year return period and the reference volume (i.e. the 100-year return level or the largest observed volume) of sediment supply were derived for studied torrents. We examined the relationships between sediment supply volumes and several explanatory variables using multivariate statistical analyses. Several predictive models were developed in order to estimate the sediment supply in torrents that are not equipped with sedimentation structures.
Keynote lecture. A general two phase depth integrated model considering pore water pressure and dewatering
Authors: Pastor Manuel , Moussavi Tayyebi Saeid , Hernandez Andrei , Gao Lingang , Martín Stickle Miguel , Navas Pedro , Manzanal Diego , Yagüe Ángel , Molinos Miguel
Published: August 2023

Debris flows can be considered a type of landslide with large velocities and long run-out distances. There are many types of debris flows, depending on the properties of the solid and fluid components of the mixture. The triggering and propagation of debris flows can be studied using a single 3D mathematical model. The computational cost can be very high because of their length, and depth-integrated models provide a good combination of accuracy and cost. Both types of models can be combined in the analysis, using 3D models for initiation and at singular points where more accuracy is wanted. As in a chain where the strength is never higher than that of the weaker link, we have to ensure that all the models are accurate enough in a joint model. This paper deals with a new depth-integrated model which can take into account the changes caused by dewatering in a debris flow.
Development of an open source Debris Flow Simulator for “Sabo” (DFSS)
Authors: Shimizu Takeshi , Yamazaki Yusuke , Imamori Naoki
Published: August 2023

We report the development of an open source “Debris Flow Simulator for Sabo” (DFSS). DFSS consists of three models corresponding to three geomorphological regions (mountain hillside slopes, mountain-to-plain river channels, and lower plains). A 2D rainfall-runoff (RR) model is adopted mainly for hillside slopes; a 1D debris flow runoff (DR) model is used for the river channel; and a 2D debris flow flooding or inundation (DF) model is adopted for the lower plains. These models are weakly coupled such that one can modify the overall model to fit diverse problems. In this article, we provide a detailed introduction to the models comprising DFSS, and demonstrate its utility.
Shear-thinning, Coulomb friction and grain collisions in debris-flow waterfalls: Applications of a 3D phase mixture model with a single calibration parameter and a complex 4-way coupled resolved CFD-DEM approach
Authors: von Boetticher Albrecht , Berger Catherine , Speerli Jürg
Published: August 2023

Shear-thinning is a common flow-feature of fine sediment suspensions. Mixed with gravel, Coulomb friction drives the energy dissipation between small grains while collisions become more and more important with larger grains. The interaction of the flow with local geometries of the channel can enforce each of these three key features, making the design analysis of channel sections with obstacles a highly back-coupled system. This paper addresses the numerical simulation of debris flow material under extreme flow conditions at planned protection measures. Mixtures with small grain sizes are modelled with a single calibration parameter using the 3D CFD phase mixture software debrisInterMixing and compared with laboratory experiments. To further investigate the scaling of the results, a coupled code of YADE and debrisInterMixingLP is applied accounting for the 4-way coupling to the coarse boulders at the front with resolved CFD-DEM, reaching beyond the possibilities of debris flow experiments.
Towards a better understanding of debris flow sediment sources: Monitoring of an active rock slope at Spitze Stei, Switzerland
Authors: Chmiel Małgorzata , Husmann Lena , Walter Fabian , Horgan Huw , Belli Giacomo , Marchetti Emanuele , Kienholz Christian
Published: August 2023

Rapid process cascades can lead to destructive debris flows. Identifying and characterizing the processes conditioning debris-flow occurrence will strongly contribute to the mitigation of debris-flow hazards. In recent years, the rock slope near “Spitze Stei”, in the Kandersteg region, Switzerland, has exhibited elevated displacement rates exceeding 10 cm per day, suggesting a growing instability up to 20 million m3. The accumulated sediments at the bottom of the Spitze Stei slope are mobilized as debris flows by melting snow and heavy summer precipitations. Here, we use seismology combined with an intelligent algorithm to automatically detect rockfall and landslides at the Spitze Stei rock slope. These mass movements act as primary sediment sources delivering sediments to a debris-prone channel. Our initial results quantify mass movement activity before two debris flow events that occurred in 2022 and identify their triggers. Such analysis can contribute towards mitigating debris flow hazards and extending warning time, especially for debris flows triggered by factors other than precipitation.
When instrument location makes the difference on rainfall thresholds definition: Lessons learned at Cancia, Dolomites
Authors: Crema Stefano , Coviello Velio , Cesca Matteo , Dainese Roberta , Marchi Lorenzo , Pasuto Alessandro , Cavalli Marco
Published: August 2023

Since debris flows represent one of the most dangerous natural hazard in mountain areas, Early Warning Systems (EWSs) play a crucial role in reducing the risk of these hazardous processes. Robust event pre-alert usually relies on long time series of local rainfall measures. Oftentimes regional rain gauge networks present an insufficient spatial density to grasp the highly variable spatio-temporal dynamics of debris-flow triggering events and thus relying on such networks for developing rainfall thresholds might lead to relatively low rainfall estimates. The present paper reports the development of operational rainfall thresholds for the Cancia EWS, Dolomites (NE Italy). The instrumentation configuration led to the derivation and implementation of a set of rainfall thresholds that significantly enhanced pre-alarm reliability thanks to an optimal spatial distribution of multiple rain gauges within the catchment. Notwithstanding the small number of debris flows occurred during the calibration period, rainfall thresholds were derived considering the whole population of rainfall events showcasing the statistical properties of those events that led to debris-flow initiation. Finally, the validation period served as proof of work for the proposed thresholds with no raised false alarms and with the identification of few minor, but correctly detected, debris flows.