bluuebunny/crossref_metadata_2025 huggingface dataset:
Challenges and recent advancements in the synthesis of α,α-disubstituted α-amino acids
Authors: Zhang Yu , Vanderghinste Jaro , Wang Jinxin , Das Shoubhik
Published: February 2024

α,α-Disubstituted α-amino acids (α-AAs) have improved properties compared to other types of amino acids. They serve as modifiers of peptide conformation and as precursors of bioactive compounds. Therefore, it has been a long-standing goal to construct this highly valuable scaffold efficiently in organic synthesis and drug discovery. However, access to α,α-disubstituted α-AAs is highly challenging and largely unexplored due to their steric constraints. To overcome these, remarkable advances have been made in the last decades. Emerging strategies such as synergistic enantioselective catalysis, visible-light-mediated photocatalysis, metal-free methodologies and CO2fixation offer new avenues to access the challenging synthesis of α,α-disubstituted α-AAs and continuously bring additional contributions to this field. This review article aims to provide an overview of the recent advancements since 2015 and discuss existing challenges for the synthesis of α,α-disubstituted α-AAs and their derivatives.
Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-XL by engaging a single-residue discrepancy
Authors: Li Fengwei , Liu Junjie , Liu Chao , Liu Ziyan , Peng Xiangda , Huang Yinyue , Chen Xiaoyu , Sun Xiangnan , Wang Sen , Chen Wei , Xiong Dan , Diao Xiaotong , Wang Sheng , Zhuang Jingjing , Wu Chuanliu , Wu Dalei
Published: February 2024

Overexpressed pro-survival B-cell lymphoma-2 (BCL-2) family proteins BCL-2 and BCL-XL can render tumor cells malignant. Leukemia drug venetoclax is currently the only approved selective BCL-2 inhibitor. However, its application has led to an emergence of resistant mutations, calling for drugs with an innovative mechanism of action. Herein we present cyclic peptides (CPs) with nanomolar-level binding affinities to BCL-2 or BCL-XL, and further reveal the structural and functional mechanisms of how these CPs target two proteins in a fashion that is remarkably different from traditional small-molecule inhibitors. In addition, these CPs can bind to the venetoclax-resistant clinical BCL-2 mutants with similar affinities as to the wild-type protein. Furthermore, we identify a single-residue discrepancy between BCL-2 D111 and BCL-XL A104 as a molecular “switch” that can differently engage CPs. Our study suggests that CPs may inhibit BCL-2 or BCL-XL by delicately modulating protein-protein interactions, potentially benefiting the development of next-generation therapeutics.
Mucosal host-microbe interactions associate with clinical phenotypes in inflammatory bowel disease
Authors: Hu Shixian , Bourgonje Arno R. , Gacesa Ranko , Jansen Bernadien H. , Björk Johannes R. , Bangma Amber , Hidding Iwan J. , van Dullemen Hendrik M. , Visschedijk Marijn C. , Faber Klaas Nico , Dijkstra Gerard , Harmsen Hermie J. M. , Festen Eleonora A. M. , Vich Vila Arnau , Spekhorst Lieke M. , Weersma Rinse K.
Published: February 2024

Disrupted host-microbe interactions at the mucosal level are key to the pathophysiology of IBD. This study aimed to comprehensively examine crosstalk between mucosal gene expression and microbiota in patients with IBD. To study tissue-specific interactions, we perform transcriptomic (RNA-seq) and microbial (16S-rRNA-seq) profiling of 697 intestinal biopsies (645 derived from 335 patients with IBD and 52 from 16 non-IBD controls). Mucosal gene expression patterns in IBD are mainly determined by tissue location and inflammation, whereas the mucosal microbiota composition shows a high degree of individual specificity. Analysis of transcript-bacteria interactions identifies six distinct groups of inflammation-related pathways that are associated with intestinal microbiota (adjusted P < 0.05). An increased abundance of Bifidobacterium is associated with higher expression of genes involved in fatty acid metabolism, while Bacteroides correlates with increased metallothionein signaling. In patients with fibrostenosis, a transcriptional network dominated by immunoregulatory genes is associated with Lachnoclostridium bacteria in non-stenotic tissue (adjusted P < 0.05), while being absent in CD without fibrostenosis. In patients using TNF-α-antagonists, a transcriptional network dominated by fatty acid metabolism genes is linked to Ruminococcaceae (adjusted P < 0.05). Mucosal microbiota composition correlates with enrichment of intestinal epithelial cells, macrophages, and NK-cells. Overall, these data demonstrate the presence of context-specific mucosal host-microbe interactions in IBD, revealing significantly altered inflammation-associated gene-taxa modules, particularly in patients with fibrostenotic CD and patients using TNF-α-antagonists. This study provides compelling insights into host–microbe interactions that may guide microbiota-directed precision medicine and fuels the rationale for microbiota-targeted therapeutics as a strategy to alter disease course in IBD.
A compressive hyperspectral video imaging system using a single-pixel detector
Authors: Xu Yibo , Lu Liyang , Saragadam Vishwanath , Kelly Kevin F.
Published: February 2024

Capturing fine spatial, spectral, and temporal information of the scene is highly desirable in many applications. However, recording data of such high dimensionality requires significant transmission bandwidth. Current computational imaging methods can partially address this challenge but are still limited in reducing input data throughput. In this paper, we report a video-rate hyperspectral imager based on a single-pixel photodetector which can achieve high-throughput hyperspectral video recording at a low bandwidth. We leverage the insight that 4-dimensional (4D) hyperspectral videos are considerably more compressible than 2D grayscale images. We propose a joint spatial-spectral capturing scheme encoding the scene into highly compressed measurements and obtaining temporal correlation at the same time. Furthermore, we propose a reconstruction method relying on a signal sparsity model in 4D space and a deep learning reconstruction approach greatly accelerating reconstruction. We demonstrate reconstruction of 128 × 128 hyperspectral images with 64 spectral bands at more than 4 frames per second offering a 900× data throughput compared to conventional imaging, which we believe is a first-of-its kind of a single-pixel-based hyperspectral imager.
ALLO-1- and IKKE-1-dependent positive feedback mechanism promotes the initiation of paternal mitochondrial autophagy
Authors: Sasaki Taeko , Kushida Yasuharu , Norizuki Takuya , Kosako Hidetaka , Sato Ken , Sato Miyuki
Published: February 2024

Allophagy is responsible for the selective removal of paternally inherited organelles, including mitochondria, in Caenorhabditis elegans embryos, thereby facilitating the maternal inheritance of mitochondrial DNA. We previously identified two key factors in allophagy: an autophagy adaptor allophagy-1 (ALLO-1) and TBK1/IKKε family kinase IKKE-1. However, the precise mechanisms by which ALLO-1 and IKKE-1 regulate local autophagosome formation remain unclear. In this study, we identify two ALLO-1 isoforms with different substrate preferences during allophagy. Live imaging reveals a stepwise mechanism of ALLO-1 localization with rapid cargo recognition, followed by ALLO-1 accumulation around the cargo. In the ikke-1 mutant, the accumulation of ALLO-1, and not the recognition of cargo, is impaired, resulting in the failure of isolation membrane formation. Our results also suggest a feedback mechanism for ALLO-1 accumulation via EPG-7/ATG-11, a worm homolog of FIP200, which is a candidate for IKKE-1-dependent phosphorylation. This feedback mechanism may underlie the ALLO-1-dependent initiation and progression of autophagosome formation around paternal organelles.
Promoting high-voltage stability through local lattice distortion of halide solid electrolytes
Authors: Song Zhenyou , Wang Tengrui , Yang Hua , Kan Wang Hay , Chen Yuwei , Yu Qian , Wang Likuo , Zhang Yini , Dai Yiming , Chen Huaican , Yin Wen , Honda Takashi , Avdeev Maxim , Xu Henghui , Ma Jiwei , Huang Yunhui , Luo Wei
Published: February 2024

Stable solid electrolytes are essential to high-safety and high-energy-density lithium batteries, especially for applications with high-voltage cathodes. In such conditions, solid electrolytes may experience severe oxidation, decomposition, and deactivation during charging at high voltages, leading to inadequate cycling performance and even cell failure. Here, we address the high-voltage limitation of halide solid electrolytes by introducing local lattice distortion to confine the distribution of Cl−, which effectively curbs kinetics of their oxidation. The confinement is realized by substituting In with multiple elements in Li3InCl6 to give a high-entropy Li2.75Y0.16Er0.16Yb0.16In0.25Zr0.25Cl6. Meanwhile, the lattice distortion promotes longer Li-Cl bonds, facilitating favorable activation of Li+. Our results show that this high-entropy halide electrolyte boosts the cycle stability of all-solid-state battery by 250% improvement over 500 cycles. In particular, the cell provides a higher discharge capacity of 185 mAh g−1 by increasing the charge cut-off voltage to 4.6 V at a small current rate of 0.2 C, which is more challenging to electrolytes|cathode stability. These findings deepen our understanding of high-entropy materials, advancing their use in energy-related applications.
Iron-catalyzed fluoroalkylative alkylsulfonylation of alkenes via radical-anion relay
Authors: Hou Xiaoya , Liu Hongchi , Huang Hanmin
Published: February 2024

Transition metal-catalyzed reductive difunctionalization of alkenes with alkyl halides is a powerful method for upgrading commodity chemicals into densely functionalized molecules. However, super stoichiometric amounts of metal reductant and the requirement of installing a directing group into alkenes to suppress the inherent β-H elimination bring great limitations to this type of reaction. We demonstrate herein that the difunctionalization of alkenes with two different alkyl halides is accessible via a radical-anion relay with Na2S2O4 as both reductant and sulfone-source. The Na2S2O4 together with the electron-shuttle catalyst is crucial to divert the mechanistic pathway toward the formation of alkyl sulfone anion instead of the previously reported alkylmetal intermediates. Mechanistic studies allow the identification of carbon-centered alkyl radical and sulfur-centered alkyl sulfone radical, which are in equilibrium via capture or extrusion of SO2 and could be converted to alkyl sulfone anion accelerated by iron electron-shuttle catalysis, leading to the observed high chemoselectivity.
CALPHAD accelerated design of advanced full-Zintl thermoelectric device
Authors: Yin Li , Li Xiaofang , Bao Xin , Cheng Jinxuan , Chen Chen , Zhang Zongwei , Liu Xingjun , Cao Feng , Mao Jun , Zhang Qian
Published: February 2024

Since thermoelectric materials have different physical and chemical properties, the design of contact layers requires dedicated efforts, and the welding temperatures are distinctly different. Therefore, a general interface design and connection technology can greatly facilitate the development of thermoelectric devices. Herein, we proposed a screening strategy for the contact materials based on the calculation of phase diagram method, and Mg2Ni has been identified as a matched contact layer for n-type Mg3Sb2-based materials. And this screening strategy can be effectively applied to other thermoelectric materials. By adopting the low-temperature sintering silver nanoparticles technology, the Zintl phase thermoelectric device can be fabricated at low temperature but operate at medium temperature. The single-leg n-type Mg3.15Co0.05SbBi0.99Se0.01 device achieves an efficiency of ~13.3%, and a high efficiency of ~11% at the temperature difference of 430 K has been realized for the Zintl phase thermoelectric device comprised together with p-type Yb0.9Mg0.9Zn1.198Ag0.002Sb2. Additionally, the thermal aging and thermal cycle experiments proved the long-term reliability of the Mg2Ni/Mg3.15Co0.05SbBi0.99Se0.01 interface and the nano-silver sintering joints. Our work paves an effective avenue for the development of advanced devices for thermoelectric power generation.
Continuous ultraviolet to blue-green astrocomb
Authors: Cheng Yuk Shan , Dadi Kamalesh , Mitchell Toby , Thompson Samantha , Piskunov Nikolai , Wright Lewis D. , Gawith Corin B. E. , McCracken Richard A. , Reid Derryck T.
Published: February 2024

Cosmological and exoplanetary science using transformative telescopes like the ELT will demand precise calibration of astrophysical spectrographs in the blue-green, where stellar absorption lines are most abundant. Astrocombs—lasers providing a broadband sequence of regularly-spaced optical frequencies on a multi-GHz grid—promise an atomically-traceable calibration scale, but their realization in the blue-green is challenging for current infrared-laser-based technology. Here, we introduce a concept achieving a broad, continuous spectrum by combining second-harmonic generation and sum-frequency-mixing in an MgO:PPLN waveguide to generate 390–520 nm light from a 1 GHz Ti:sapphire frequency comb. Using a Fabry-Pérot filter, we extract a 30 GHz sub-comb spanning 392–472 nm, visualizing its thousands of modes on a high-resolution spectrograph. Experimental data and simulations demonstrate how the approach can bridge the spectral gap present in second-harmonic-only conversion. Requiring only $$\approx$$
≈
100 pJ pulses, our concept establishes a new route to broadband UV-visible generation at GHz repetition rates.
Robust temporal adiabatic passage with perfect frequency conversion between detuned acoustic cavities
Authors: Chen Zhao-Xian , Peng Yu-Gui , Chen Ze-Guo , Liu Yuan , Chen Peng , Zhu Xue-Feng , Lu Yan-Qing
Published: February 2024

For classical waves, phase matching is vital for enabling efficient energy transfer in many scenarios, such as waveguide coupling and nonlinear optical frequency conversion. Here, we propose a temporal quasi-phase matching method and realize robust and complete acoustical energy transfer between arbitrarily detuned cavities. In a set of three cavities, A, B, and C, the time-varying coupling is established between adjacent elements. Analogy to the concept of stimulated Raman adiabatic passage, amplitudes of the two couplings are modulated as time-delayed Gaussian functions, and the couplings’ signs are periodically flipped to eliminate temporal phase mismatching. As a result, robust and complete acoustic energy transfer from A to C is achieved. The non-reciprocal frequency conversion properties of our design are demonstrated. Our research takes a pivotal step towards expanding wave steering through time-dependent modulations and is promising to extend the frequency conversion based on state evolution in various linear Hermitian systems to nonlinear and non-Hermitian regimes.
A chromosome-level genome assembly of the forestry pest Coronaproctus castanopsis
Authors: Huang Yi-Xin , Zhu Xiu-Shuang , Chen Xiao-Nan , Zheng Xin-Yi , Su Bao-Shan , Shi Xiao-Yu , Wang Xu , Wu San-An , Hu Hao-Yuan , Yu Jian-Ping , Zhang Yan-Zhou , Zhu Chao-Dong
Published: February 2024

As an important forestry pest, Coronaproctus castanopsis (Monophlebidae) has caused serious damage to the globally valuable Gutianshan ecosystem, China. In this study, we assembled the first chromosome-level genome of the female specimen of C. castanopsis by merging BGI reads, HiFi long reads and Hi-C data. The assembled genome size is 700.81 Mb, with a scaffold N50 size of 273.84 Mb and a contig N50 size of 12.37 Mb. Hi-C scaffolding assigned 98.32% (689.03 Mb) of C. Castanopsis genome to three chromosomes. The BUSCO analysis (n = 1,367) showed a completeness of 91.2%, comprising 89.2% of single-copy BUSCOs and 2.0% of multicopy BUSCOs. The mapping ratio of BGI, second-generation RNA, third-generation RNA and HiFi reads are 97.84%, 96.15%, 97.96%, and 99.33%, respectively. We also identified 64.97% (455.3 Mb) repetitive elements, 1,373 non-coding RNAs and 10,542 protein-coding genes. This study assembled a high-quality genome of C. castanopsis, which accumulated valuable molecular data for scale insects.
Structural effects of asymmetric magnet shape on performance of surface permanent magnet synchronous motors
Authors: Choe Jungwoo , Kwon Hyuksung , Kim Hyunwoo , Koo Doheon , So Hongyun
Published: February 2024

This study proposes a novel surface permanent magnet synchronous motor (N-SPMSM) structure, which features asymmetric magnets attached to the rotor surface. The N-SPMSM structure exhibits reduced structural complexity and minimal electromagnetic performance degradation. The properties of N-SPMSM are analyzed by comparing its structural complexity (in terms of the shape) and manufacturing complexity and electromagnetic performance [in terms of the cogging–mutual torque ratio and back-electromotive force (EMF) values], with the corresponding values of a ring-type SPMSM (R-SPMSM) and step-skew-type SPMSM (T-SPMSM). The analysis results demonstrate that N-SPMSM has lower shape complexity than T-SPMSM and lower manufacturing complexity than both R-SPMSM and T-SPMSM. The cogging torque reduction and back-EMF performances of N-SPMSM are similar to that of R-SPMSM and T-SPMSM.
An efficient energy management scheme using rule-based swarm intelligence approach to support pulsed load via solar-powered battery-ultracapacitor hybrid energy system
Authors: Wasim Muhammad Shahid , Amjad Muhammad , Abbasi Muhammad Abbas , Bhatti Abdul Rauf , Rasool Akhtar , Raheem Abdur , Ali Ahmed , Khan Baseem
Published: February 2024

This work presents an energy management scheme (EMS) based on a rule-based grasshopper optimization algorithm (RB-GOA) for a solar-powered battery-ultracapacitor hybrid system. The main objective is to efficiently meet pulsed load (PL) demands and extract maximum energy from the photovoltaic (PV) array. The proposed approach establishes a simple IF-THEN set of rules to define the search space, including PV, battery bank (BB), and ultracapacitor (UC) constraints. GOA then dynamically allocates power shares among PV, BB, and UC to meet PL demand based on these rules and search space. A comprehensive study is conducted to evaluate and compare the performance of the proposed technique with other well-known swarm intelligence techniques (SITs) such as the cuckoo search algorithm (CSA), gray wolf optimization (GWO), and salp swarm algorithm (SSA). Evaluation is carried out for various cases, including PV alone without any energy storage device, variable PV with a constant load, variable PV with PL cases, and PV with maximum power point tracking (MPPT). Comparative analysis shows that the proposed technique outperforms the other SITs in terms of reducing power surges caused by PV power or load transition, oscillation mitigation, and MPP tracking. Specifically, for the variable PV with constant load case, it reduces the power surge by 26%, 22%, and 8% compared to CSA, GWO, and SSA, respectively. It also mitigates oscillations twice as fast as CSA and GWO and more than three times as fast as SSA. Moreover, it reduces the power surge by 9 times compared to CSA and GWO and by 6 times compared to SSA in variable PV with the PL case. Furthermore, its MPP tracking speed is approximately 29% to 61% faster than its counterparts, regardless of weather conditions. The results demonstrate that the proposed EMS is superior to other SITs in keeping a stable output across PL demand, reducing power surges, and minimizing oscillations while maximizing the usage of PV energy.
Application of the performance of machine learning techniques as support in the prediction of school dropout
Authors: Jiménez-Gutiérrez Auria Lucia , Mota-Hernández Cinthya Ivonne , Mezura-Montes Efrén , Alvarado-Corona Rafael
Published: February 2024

This article presents a study, intending to design a model with 90% reliability, which helps in the prediction of school dropouts in higher and secondary education institutions, implementing machine learning techniques. The collection of information was carried out with open data from the 2015 Intercensal Survey and the 2010 and 2020 Population and Housing censuses carried out by the National Institute of Statistics and Geography, which contain information about the inhabitants and homes. in the 32 federal entities of Mexico. The data were homologated and twenty variables were selected, based on the correlation. After cleaning the data, there was a sample of 1,080,782 records in total. Supervised learning was used to create the model, automating data processing with training and testing, applying the following techniques, Artificial Neural Networks, Support Vector Machines, Linear Ridge and Lasso Regression, Bayesian Optimization, Random Forest, the first two with a reliability greater than 99% and the last with 91%.
Coupling vibration analysis of heat exchanger tube bundles under different stiffness conditions
Authors: Yin Yifang , Wang Zunce , Ma Mingyue , Zhang Jinglong , Xu Yan , Li Lidong , Ge Mingming
Published: February 2024

A two-dimensional tube bundles fluid–structure coupling model was developed using the CFD approach, with a rigid body motion equation and the Newmark integral method. The numerical simulations were performed to determine the vibration coupling properties between various tube bundles of stiffness. Take the corner square tube bundles with a pitch ratio of 1.28 as the research object. The influence of adjacent tubes with different stiffness on the vibration of the central target tube was analyzed. The research results show that the vibration characteristic of tube bundles is affected by the flow field dominant frequency and the inherent frequency of tube bundles. The vibration of adjacent tube bundles significantly impacts the amplitude and frequency of the central target tube. The equal stiffness and large stiffness tubes upstream or downstream inhibit the vibration displacement of the target tube to some extent. The low-stiffness tubes upstream or downstream significantly enhanced the amplitude of the target tube. The findings can be used to provide a basis for reasonable design and vibration suppression of shell-and-tube heat exchangers.
Transcutaneous cervical vagus nerve stimulation improves sensory performance in humans: a randomized controlled crossover pilot study
Authors: Jigo Michael , Carmel Jason B. , Wang Qi , Rodenkirch Charles
Published: February 2024

Accurate senses depend on high-fidelity encoding by sensory receptors and error-free processing in the brain. Progress has been made towards restoring damaged sensory receptors. However, methods for on-demand treatment of impaired central sensory processing are scarce. Prior invasive studies demonstrated that continuous vagus nerve stimulation (VNS) in rodents can activate the locus coeruleus-norepinephrine system to rapidly improve central sensory processing. Here, we investigated whether transcutaneous VNS improves sensory performance in humans. We conducted three sham-controlled experiments, each with 12 neurotypical adults, that measured the effects of transcutaneous VNS on metrics of auditory and visual performance, and heart rate variability (HRV). Continuous stimulation was delivered to cervical (tcVNS) or auricular (taVNS) branches of the vagus nerve while participants performed psychophysics tasks or passively viewed a display. Relative to sham stimulation, tcVNS improved auditory performance by 37% (p = 0.00052) and visual performance by 23% (p = 0.038). Participants with lower performance during sham conditions experienced larger tcVNS-evoked improvements (p = 0.0040). Lastly, tcVNS increased HRV during passive viewing, corroborating vagal engagement. No evidence for an effect of taVNS was observed. These findings validate the effectiveness of tcVNS in humans and position it as a method for on-demand interventions of impairments associated with central sensory processing dysfunction.
Mean corpuscular volume as a prognostic factor for 30-day mortality in major trauma patients: a retrospective cohort study
Authors: Choi Hanlim , Lee Jin Young , Sul Younghoon , Kim Se Heon , Ye Jin Bong , Lee Jin Suk , Yoon Soo Young , Seok Junepill , Choi Jung Hee
Published: February 2024

We investigated the clinical implications of the mean corpuscular volume (MCV) in patients with major trauma. This single-center retrospective review included 2021 trauma patients admitted to the intensive care unit between January 2016 and June 2020. We included 1218 patients aged $$\ge $$
≥
18 years with an injury severity score $$\ge $$
≥
16 in the final analysis. The clinical and laboratory variables were compared between macrocytosis (defined as MCV $$\ge $$
≥
100 fL) and non-macrocytosis groups. Cox regression analysis was performed to calculate the hazard ratios (HRs) of variables for 30-day mortality, with adjustment for other potential confounding factors. The initial mean value of MCV was 102.7 fL in the macrocytosis group (n = 199) and 93.7 fL in the non-macrocytosis group (n = 1019). The macrocytosis group showed a significantly higher proportion of initial hypotension, transfusion within 4 and 24 h, and 30-day mortality than the non-macrocytosis group. Age ($$\ge $$
≥
65 years), hypotension (systolic blood pressure $$\le $$
≤
90 mmHg), transfusion (within 4 h), anemia (Hb < 12 g/day in women, < 13 g/day in men), and macrocytosis were significantly associated with 30-day mortality (adjusted HR = 1.4; 95% confidence interval 1.01–1.94; p = 0.046) in major trauma patients. Thus, initial macrocytosis independently predicted 30-day mortality in patients with major trauma at a Level I trauma center.
Study of hydrothermal processes in ice-layers subgrade under constant temperature and dynamic loading
Authors: Zhai Jinbang , Zhang Ze , Yang Linzhen , Zhou Kunchao
Published: February 2024

The presence of ice-layers in the subgrade soils makes the hydrothermal state of road subgrade built in island permafrost regions more susceptible to external environmental influences. In order to deepen the study of the ice-layers subgrade, a hydrothermal study of subgrade under constant temperature and dynamic loading was carried out. It was found that dynamic loading can change the temperature, moisture and pore water pressure distribution. Under dynamic loading, the hydrothermal and pore water pressure state of the soil in the upper part of the ice layer changed significantly at the beginning of the test. The application of dynamic loads alters the spatial distribution of pore water pressure in the soil, resulting in pressure differences between different areas, which affects the migration of moisture and ultimately leads to the formation of areas with higher moisture content in the area below the load. However, the reduction in soil temperature will weaken the effect of the load, therefore, the temperature of the soil should be controlled for frozen subgrade with ice-layers to prevent the accumulation of moisture in the soil.
Architectural design of anode materials for superior alkali-ion (Li/Na/K) batteries storage
Authors: Ghahari Afsaneh , Raissi Heidar
Published: February 2024

Developing high-performance anode materials remains a significant challenge for clean energy storage systems. Herein, we investigated the (MXene/MoSe2@C) heterostructure hybrid nanostructure as a superior anode material for application in lithium, sodium, and potassium ion batteries (LIBs, SIBs, and PIBs). Moreover, the anode structure’s stability was examined via the open-source Large-scale atomic/molecular massively Parallel Simulator code. Our results indicated that the migration of SIBs toward the anode material is significantly greater than other ions during charge and discharge cycles. Therefore, SIBs systems can be competitive with PIBs and LIBs systems. In addition, the average values of the potential energies for the anode materials/ions complexes are about ~ − 713.65, ~  − 2030.41, and ~ − 912.36 kcal mol−1 in systems LIBs, SIBs, and PIBs, respectively. This study provides a rational design strategy to develop high-performance anode materials in SIBs/PIBs/LIBs systems, which can be developed for other transition metal chalcogenide-based composites as a superior anode of alkali metal ion battery storage systems.
Comparative putative metabolites profiling of Tachypleus gigas and Carcinoscorpius rotundicauda hemocytes stimulated with lipopolysaccharide
Authors: Jasni Nurhana , Wee Chee Lee , Ismail Noraznawati , Yaacob Nik Soriani , Othman Nurulhasanah
Published: February 2024

Horseshoe crabs are among the most studied invertebrates due to their unique, innate immune system and biological processes. The metabolomics study was conducted on lipopolysaccharide (LPS)-stimulated and non-stimulated hemocytes isolated from the Malaysian Tachypleus gigas and Carcinoscorpius rotundicauda. LC–TOF–MS, multivariate analyses, principal component analysis (PCA), and partial least squares-discriminant analysis (PLS-DA) were included in this study to profile the metabolites. A total of 37 metabolites were identified to be differentially abundant and were selected based on VIP > 1. However, of the 37 putative metabolites, only 23 were found to be significant with ANOVA at p < 0.05. The metabolites were identified using several databases, and the literature review of the metabolites was reported in the manuscript. Thus, this study has provided further insights into the putative metabolites' presence in the hemocytes of horseshoe crabs that are stimulated and non-stimulated with LPS and their abundance in each species. Several putative metabolites showed they have medicinal values from previous studies.
Investigating the improvement of the quality of industrial effluents for reuse with added processes: coagulation, flocculation, multi-layer filter and UV
Authors: Esteki Razieh , Ehrampoush Mohammad Hassan , Nasab Habibeh , Ebrahimi Ali Asghar
Published: February 2024

Reuse of wastewater is one of the ways to develop water resources. In addition to the need for drinking water, many industries also need high-quality water in the production line. Therefore, the purpose of the present study is to investigate the advanced treatment of the wastewater treatment plant of Morche Khort industrial town using the processes of coagulation, flocculation with aeration, multi-layer filter, and disinfection by ultraviolet radiation to increase the quality of wastewater and reuse it in industries. In this study, to investigate the effect of coagulation and flocculation units along with aeration, filtration, and disinfection by ultraviolet rays (UV), on the quality of the secondary effluent from the wastewater treatment plant of Morche Khort industrial town, they were operated on a pilot scale. Polyaluminum chloride (PAC) was used as a coagulant. Layering of three layers of sand filter, from bottom to top including granulated silica at a height of 10 cm, sand at a height of 20 cm, and activated carbon at a height of 70 cm was used. The input and output sampling points of each unit were considered. By repeating twice in five stages of flow rates of 1, 2, 4, 6, and 8 (L/min), the samples were collected to determine COD, TSS, TDS, turbidity, pH, hardness, total coliform, and fecal coliform. Jar test results showed that Alum coagulant works almost the same as PAC in removing turbidity, but the efficiency of removing organic substances by PAC coagulant is higher than that of Alum at lower doses. The results of this study showed that the efficiency of the coagulation and flocculation process in removing turbidity, COD, TSS, TDS, and fat was 56.88%, 46.66%, 38%, 23.19%, and 91.43% respectively. In the current study, the results of the wastewater entering the sand filter showed that the percentage of removal efficiency with a loading rate of 1 (L/min) was turbidity, TSS, COD, TDS, and fat was 16. 93%, 56.84%, 50%, 5.67%, 33.44% respectively. In the UV disinfection unit, the removal efficiency percentage with a loading rate of 1 (L/min) for COD, TSS, turbidity, hardness, total coliform, and fecal coliform is 16%, 3.45%, 3.58%, 5.21%, 99.88%, and 98.37% respectively. Coagulation and flocculation system—multi-layer filter and disinfection can remove chemical–physical and microbial parameters to an acceptable level for using water in advanced purification systems and also for irrigation.
Diatom-mediated food web functioning under ocean artificial upwelling
Authors: Goldenberg Silvan Urs , Spisla Carsten , Sánchez Nicolás , Taucher Jan , Spilling Kristian , Sswat Michael , Fiesinger Anna , Fernández-Méndez Mar , Krock Bernd , Hauss Helena , Haussmann Jacqueline , Riebesell Ulf
Published: February 2024

Enhancing ocean productivity by artificial upwelling is evaluated as a nature-based solution for food security and climate change mitigation. Fish production is intended through diatom-based plankton food webs as these are assumed to be short and efficient. However, our findings from mesocosm experiments on artificial upwelling in the oligotrophic ocean disagree with this classical food web model. Here, diatoms did not reduce trophic length and instead impaired the transfer of primary production to crustacean grazers and small pelagic fish. The diatom-driven decrease in trophic efficiency was likely mediated by changes in nutritional value for the copepod grazers. Whilst diatoms benefitted the availability of essential fatty acids, they also caused unfavorable elemental compositions via high carbon-to-nitrogen ratios (i.e. low protein content) to which the grazers were unable to adapt. This nutritional imbalance for grazers was most pronounced in systems optimized for CO2 uptake through carbon-to-nitrogen ratios well beyond Redfield. A simultaneous enhancement of fisheries production and carbon sequestration via artificial upwelling may thus be difficult to achieve given their opposing stoichiometric constraints. Our study suggest that food quality can be more critical than quantity to maximize food web productivity during shorter-term fertilization of the oligotrophic ocean.
Metabolic syndrome: a population-based study of prevalence and risk factors
Authors: Jamali Zahra , Ayoobi Fatemeh , Jalali Zahra , Bidaki Reza , Lotfi Mohammad Amin , Esmaeili-Nadimi Ali , Khalili Parvin
Published: February 2024

The association between personal habits and metabolic syndrome (MetS) remains controversial. This study aimed to assess the prevalence of MetS among youths and its association with cigarette, tobacco, opium, and alcohol consumption in the Rafsanjan Youth Cohort Study (RYCS). The current cross-sectional study was based on data from RYCS, as part of the Rafsanjan Cohort Study (RCS). RCS is a branch of the prospective epidemiological research studies in Iran (PERSIAN). In the present study, 2843 youths aged 15–35 were included. MetS was diagnosed using the international diabetes federation (International IDF), National Cholesterol Education Panel- Adult Treatment Panel III (NCEP-ATPIII), and Iranian criteria (IDF Iranian). Binary logistic regression models were performed to estimate odds ratios (ORs) and confidence intervals (CIs). The prevalence of MetS was 7.67%, 7.14%, and 10.13% based on NCEP-ATPIII, IDF Iranian, and International IDF criteria respectively. The odds of MetS according to international IDF and Iranian IDF in the alcohol-drinking group in the last 12 months (OR: 1.51, 95%CI 1.02–2.21, OR: 1.66, 95%CI 1.11–2.48 respectively) were greater compared with the non-drinking group. The odds of having high TG in the alcohol-drinking group in the last 12 months was 1.53 times higher than the control group (OR = 1.53, 95% CI: 1.20–1.94). Furthermore, the odds of having high waist circumference (WC) according to IDF International was significantly higher in the tobacco-smoking group in the last 12 months and in the tobacco-smoking group in the last 12 months daily (OR: 1.23, 95%CI 1.01–1.49 and OR: 1.41, 95%CI 1.01–1.98 respectively) compared to the control groups. The prevalence of MetS was 7.67%, 7.14%, and 10.13% based on NCEP-ATPIII, IDF Iranian, and International IDF criteria respectively. The odds of MetS and high TG were greater in the alcohol-drinking group in the last 12 months compared with the non-drinking group. The odds of high WC in the last 12 months, were greater in the tobacco-smoking group compared with the non-smoking group. However, more longitudinal studies are needed to verify the associations observed in the current study.
An objective measurement approach to quantify the perceived distortions of spectacle lenses
Authors: Sauer Yannick , Künstle David-Elias , Wichmann Felix A. , Wahl Siegfried
Published: February 2024

The eye’s natural aging influences our ability to focus on close objects. Without optical correction, all adults will suffer from blurry close vision starting in their 40s. In effect, different optical corrections are necessary for near and far vision. Current state-of-the-art glasses offer a gradual change of correction across the field of view for any distance—using Progressive Addition Lenses (PALs). However, an inevitable side effect of PALs is geometric distortion, which causes the swim effect, a phenomenon of unstable perception of the environment leading to discomfort for many wearers. Unfortunately, little is known about the relationship between lens distortions and their perceptual effects, that is, between the complex physical distortions on the one hand and their subjective severity on the other. We show that perceived distortion can be measured as a psychophysical scaling function using a VR experiment with accurately simulated PAL distortions. Despite the multi-dimensional space of physical distortions, the measured perception is well represented as a 1D scaling function; distortions are perceived less with negative far correction, suggesting an advantage for short-sighted people. Beyond that, our results successfully demonstrate that psychophysical scaling with ordinal embedding methods can investigate complex perceptual phenomena like lens distortions that affect geometry, stereo, and motion perception. Our approach provides a new perspective on lens design based on modeling visual processing that could be applied beyond distortions. We anticipate that future PAL designs could be improved using our method to minimize subjectively discomforting distortions rather than merely optimizing physical parameters.
Predicting superconducting transition temperature through advanced machine learning and innovative feature engineering
Authors: Gashmard Hassan , Shakeripour Hamideh , Alaei Mojtaba
Published: February 2024

Superconductivity is a remarkable phenomenon in condensed matter physics, which comprises a fascinating array of properties expected to revolutionize energy-related technologies and pertinent fundamental research. However, the field faces the challenge of achieving superconductivity at room temperature. In recent years, Artificial Intelligence (AI) approaches have emerged as a promising tool for predicting such properties as transition temperature (Tc) to enable the rapid screening of large databases to discover new superconducting materials. This study employs the SuperCon dataset as the largest superconducting materials dataset. Then, we perform various data pre-processing steps to derive the clean DataG dataset, containing 13,022 compounds. In another stage of the study, we apply the novel CatBoost algorithm to predict the transition temperatures of novel superconducting materials. In addition, we developed a package called Jabir, which generates 322 atomic descriptors. We also designed an innovative hybrid method called the Soraya package to select the most critical features from the feature space. These yield R2 and RMSE values (0.952 and 6.45 K, respectively) superior to those previously reported in the literature. Finally, as a novel contribution to the field, a web application was designed for predicting and determining the Tc values of superconducting materials.
Bio-based anode material production for lithium–ion batteries through catalytic graphitization of biochar: the deployment of hybrid catalysts
Authors: Shi Ziyi , Jin Yanghao , Han Tong , Yang Hanmin , Gond Ritambhara , Subasi Yaprak , Asfaw Habtom Desta , Younesi Reza , Jönsson Pär G. , Yang Weihong
Published: February 2024

Producing sustainable anode materials for lithium-ion batteries (LIBs) through catalytic graphitization of renewable biomass has gained significant attention. However, the technology is in its early stages due to the bio-graphite's comparatively low electrochemical performance in LIBs. This study aims to develop a process for producing LIB anode materials using a hybrid catalyst to enhance battery performance, along with readily available market biochar as the raw material. Results indicate that a trimetallic hybrid catalyst (Ni, Fe, and Mn in a 1:1:1 ratio) is superior to single or bimetallic catalysts in converting biochar to bio-graphite. The bio-graphite produced under this catalyst exhibits an 89.28% degree of graphitization and a 73.95% conversion rate. High-resolution transmission electron microscopy (HRTEM) reveals the dissolution–precipitation mechanism involved in catalytic graphitization. Electrochemical performance evaluation showed that the trimetallic hybrid catalyst yielded bio-graphite with better electrochemical performances than those obtained through single or bimetallic hybrid catalysts, including a good reversible capacity of about 293 mAh g−1 at a current density of 20 mA/g and a stable cycle performance with a capacity retention of over 98% after 100 cycles. This study proves the synergistic efficacy of different metals in catalytic graphitization, impacting both graphite crystalline structure and electrochemical performance.
The impact of Bayesian optimization on feature selection
Authors: Yang Kaixin , Liu Long , Wen Yalu
Published: February 2024

Feature selection is an indispensable step for the analysis of high-dimensional molecular data. Despite its importance, consensus is lacking on how to choose the most appropriate feature selection methods, especially when the performance of the feature selection methods itself depends on hyper-parameters. Bayesian optimization has demonstrated its advantages in automatically configuring the settings of hyper-parameters for various models. However, it remains unclear whether Bayesian optimization can benefit feature selection methods. In this research, we conducted extensive simulation studies to compare the performance of various feature selection methods, with a particular focus on the impact of Bayesian optimization on those where hyper-parameters tuning is needed. We further utilized the gene expression data obtained from the Alzheimer's Disease Neuroimaging Initiative to predict various brain imaging-related phenotypes, where various feature selection methods were employed to mine the data. We found through simulation studies that feature selection methods with hyper-parameters tuned using Bayesian optimization often yield better recall rates, and the analysis of transcriptomic data further revealed that Bayesian optimization-guided feature selection can improve the accuracy of disease risk prediction models. In conclusion, Bayesian optimization can facilitate feature selection methods when hyper-parameter tuning is needed and has the potential to substantially benefit downstream tasks.
Genome-wide epistasis analysis reveals gene–gene interaction network on an intermediate endophenotype P-tau/Aβ42 ratio in ADNI cohort
Authors: Zhang Qiushi , Liu Junfeng , Liu Hongwei , Ao Lang , Xi Yang , Chen Dandan
Published: February 2024

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder and the most common cause of dementia in the elderly worldwide. The exact etiology of AD, particularly its genetic mechanisms, remains incompletely understood. Traditional genome-wide association studies (GWAS), which primarily focus on single-nucleotide polymorphisms (SNPs) with main effects, provide limited explanations for the “missing heritability” of AD, while there is growing evidence supporting the important role of epistasis. In this study, we performed a genome-wide SNP–SNP interaction detection using a linear regression model and employed multiple GPUs for parallel computing, significantly enhancing the speed of whole-genome analysis. The cerebrospinal fluid (CSF) phosphorylated tau (P-tau)/amyloid-$$\beta _{42}$$

β
42

(A$$\beta _{42}$$

β
42

) ratio was used as a quantitative trait (QT) to enhance statistical power. Age, gender, and clinical diagnosis were included as covariates to control for potential non-genetic factors influencing AD. We identified 961 pairs of statistically significant SNP–SNP interactions, explaining a high-level variance of P-tau/A$$\beta _{42}$$

β
42

level, all of which exhibited marginal main effects. Additionally, we replicated 432 previously reported AD-related genes and found 11 gene–gene interaction pairs overlapping with the protein-protein interaction (PPI) network. Our findings may contribute to partially explain the “missing heritability” of AD. The identified subnetwork may be associated with synaptic dysfunction, Wnt signaling pathway, oligodendrocytes, inflammation, hippocampus, and neuronal cells.
Abiotic factors impact on oak forest decline in Lorestan Province, Western Iran
Authors: Mehri Saeed , Alesheikh Ali Asghar , Lotfata Aynaz
Published: February 2024

The Zagros oak forests in Iran are facing a concerning decline due to prolonged and severe drought conditions over several decades, compounded by the simultaneous impact of temperature on oak populations. This study in oak woodlands of central Zagros forests in Lorestan province analyzed abiotic factors such as climate properties, topographic features, land use, and soil properties from 1958 to 2022. We found that higher elevation areas with steeper slopes and diverse topography show significant potential for enhancing oak tree resilience in the face of climate change. Additionally, traditional land use practices like livestock keeping and dryland farming contribute to a widespread decline in oak populations. Preserving forest biodiversity and ensuring ecological sustainability requires immediate attention. Implementing effective land-use management strategies, such as protecting and regulating human-forest interaction, and considering meteorological factors to address this issue is crucial. Collaborative efforts from stakeholders, policymakers, and local communities are essential to oppose destructive suburban sprawl and other developments. Sustainable forestry practices should be implemented to improve the living standards of local communities that rely on forests and traditional livestock keeping, offer forestry-related jobs, and ensure social security. Such efforts are necessary to promote conservation awareness and sustainable practices, safeguarding this unique and vital ecosystem for future generations.