bluuebunny/crossref_metadata_2025 huggingface dataset:
D-LMBmap: a fully automated deep-learning pipeline for whole-brain profiling of neural circuitry
Authors: Li Zhongyu , Shang Zengyi , Liu Jingyi , Zhen Haotian , Zhu Entao , Zhong Shilin , Sturgess Robyn N. , Zhou Yitian , Hu Xuemeng , Zhao Xingyue , Wu Yi , Li Peiqi , Lin Rui , Ren Jing
Published: September 2023

Recent proliferation and integration of tissue-clearing methods and light-sheet fluorescence microscopy has created new opportunities to achieve mesoscale three-dimensional whole-brain connectivity mapping with exceptionally high throughput. With the rapid generation of large, high-quality imaging datasets, downstream analysis is becoming the major technical bottleneck for mesoscale connectomics. Current computational solutions are labor intensive with limited applications because of the exhaustive manual annotation and heavily customized training. Meanwhile, whole-brain data analysis always requires combining multiple packages and secondary development by users. To address these challenges, we developed D-LMBmap, an end-to-end package providing an integrated workflow containing three modules based on deep-learning algorithms for whole-brain connectivity mapping: axon segmentation, brain region segmentation and whole-brain registration. D-LMBmap does not require manual annotation for axon segmentation and achieves quantitative analysis of whole-brain projectome in a single workflow with superior accuracy for multiple cell types in all of the modalities tested.
A new Bayesian factor analysis method improves detection of genes and biological processes affected by perturbations in single-cell CRISPR screening
Authors: Zhou Yifan , Luo Kaixuan , Liang Lifan , Chen Mengjie , He Xin
Published: September 2023

Clustered regularly interspaced short palindromic repeats (CRISPR) screening coupled with single-cell RNA sequencing has emerged as a powerful tool to characterize the effects of genetic perturbations on the whole transcriptome at a single-cell level. However, due to its sparsity and complex structure, analysis of single-cell CRISPR screening data is challenging. In particular, standard differential expression analysis methods are often underpowered to detect genes affected by CRISPR perturbations. We developed a statistical method for such data, called guided sparse factor analysis (GSFA). GSFA infers latent factors that represent coregulated genes or gene modules; by borrowing information from these factors, it infers the effects of genetic perturbations on individual genes. We demonstrated through extensive simulation studies that GSFA detects perturbation effects with much higher power than state-of-the-art methods. Using single-cell CRISPR data from human CD8+ T cells and neural progenitor cells, we showed that GSFA identified biologically relevant gene modules and specific genes affected by CRISPR perturbations, many of which were missed by existing methods, providing new insights into the functions of genes involved in T cell activation and neurodevelopment.
Selective reduction of visceral adipose tissue with injectable ice slurry
Authors: Moradi Tuchayi Sara , Khachatryan Yeva , Wang Ying , Rox Anderson R. , Wang Jialiang S. , Wein Marc N. , Garibyan Lilit
Published: September 2023

Reduction in visceral adipose tissue (VAT) mass reduces body weight and metabolic disease risk in obese patients. However surgical removal of VAT is highly invasive and thus not clinically feasible. We developed an injectable ice slurry for selective reduction of adipose tissue through cryolipolysis. The aim of this study was to investigate safety, feasibility and mechanism of ice slurry-induced cryolipolysis of VAT. Perigonadal VAT in diet-induced obese mice and rats was subjected to slurry or sham treatment. Body weight and blood chemistry were monitored for 56 days post-treatment. Histological analysis and molecular studies were performed to elucidate mechanisms of fat reduction. Treatment of VAT was well tolerated in all animals. Slurry induced adipocyte cell death via selective cryolipolysis; significant weight loss was noted at day 21 post-treatment. RNA sequencing from treated VAT samples showed increased expression of genes involved in inflammation, immune response, collagen biosynthesis and wound healing, and decreased expression of adipokines. This study demonstrates that slurry treatment is safe and effective in inducing cryolipolysis of VAT and subsequent weight loss in mice. Ice slurry is promising as a minimally-invasive treatment to reduce visceral adipose tissue.
Validation of airway porcine epithelial cells as an alternative to human in vitro preclinical studies
Authors: Genna Vincenzo Giuseppe , Adamo Davide , Galaverni Giulia , Lepore Fabio , Boraldi Federica , Quaglino Daniela , Lococo Filippo , Pellegrini Graziella
Published: September 2023

Animal models are currently used in several fields of biomedical research as useful alternatives to human-based studies. However, the obtained results do not always effectively translate into clinical applications, due to interspecies anatomical and physiological differences. Detailed comparability studies are therefore required to verify whether the selected animal species could be a representative model for the disease or for cellular process under investigation. This has proven to be fundamental to obtaining reliable data from preclinical studies. Among the different species, swine is deemed an excellent animal model in many fields of biological research, and has been largely used in respiratory medicine, considering the high homology between human and swine airways. In the context of in vitro studies, the validation of porcine airway epithelial cells as an alternative to human epithelial cells is crucial. In this paper, porcine and human tracheal and bronchial epithelial cells are compared in terms of in vivo tissue architecture and in vitro cell behaviour under standard and airlifted conditions, analyzing the regenerative, proliferative and differentiative potentials of these cells. We report multiple analogies between the two species, validating the employment of porcine airway epithelial cells for most in vitro preclinical studies, although with some limitations due to species-related divergences.
Multistage entanglement swapping using superconducting qubits in the absence and presence of dissipative environment without Bell state measurement
Authors: Salimian S. , Tavassoly M. K. , Ghasemi M.
Published: September 2023

In recent decades the entangled state generation is of great importance in the quantum information processing and technologies. In this paper, producing the distributed entangled state of superconducting (SC) qubits is considered using an entanglement swapping protocol in three successive stages. The SC qubit pairs $$(i,\,i+1$$

(
i
,

i
+
1

with $$i=1,\,3,\,5,\,7)$$

i
=
1
,

3
,

5
,

7
)

, where each pair of the qubits has been placed on a separate chip, are initially prepared in maximally entangled states. The external magnetic fields on capacitively coupled pairs $$(2,\,3)$$

(
2
,

3
)

and $$(6,\,7)$$

(
6
,

7
)

are implemented for modulating the frequency of qubits. Then, the SC qubits $$(1,\,4)$$

(
1
,

4
)

and $$(5,\,8)$$

(
5
,

8
)

are converted into entangled states via operating proper measurements instead of Bell state measurement (which is generally a hard task). Finally, the distributed entangled state of target SC qubits $$(1,\,8)$$

(
1
,

8
)

can be obtained by applying external magnetic fields on qubits $$(4,\,5)$$

(
4
,

5
)

and via operating suitable measurements. This process is studied in the absence and presence of thermal decoherence effects. The concurrence, as a measure of entanglement between two target qubits, success probability of the distributed entangled states and the corresponding fidelities are evaluated, by which we find that the state of target SC qubits $$(1,\,8)$$

(
1
,

8
)

is converted to Bell state with maximum entanglement at some moments of time. Under appropriate conditions the maximum of success probability of the obtained states in each stage approaches 1. However, the maxima of concurrence and success probability gradually decrease due to the thermal noise as time goes on. Moreover, compelling amounts of fidelity, success probability and entanglement can be obtained for the achieved entangled states.
Towards lithium-free solid-state batteries with nanoscale Ag/Cu sputtered bilayer electrodes
Authors: Fallarino Lorenzo , Chishti Uzair Naveed , Pesce Arianna , Accardo Grazia , Rafique Amna , Casas-Cabanas Montserrat , López-Aranguren Pedro
Published: September 2023

This work demonstrates the viability to design nanoscale bilayers that enable the efficient cycling of lithium-free solid-state batteries.
Base-free regio- and stereoselective photochemical synthesis of enol ethers from 1,3-dicarbonyl compounds
Authors: Zhu Keyong , Yu Wen-Jing , Zhou Xinlong , Xu Chaogui , Zhao Guanzhen , Chai Yun , Li Shi-Jun , Xu Yuanqing , Li Pan
Published: September 2023

A visible light-induced kinetic controlled regioselective O-alkylation of various 1,3-dicarbonyl compounds with diazoacetates and cyclic ethers has been developed.
Transition-metal-catalyzed atroposelective synthesis of axially chiral styrenes
Authors: Qian Pu-Fan , Zhou Tao , Shi Bing-Feng
Published: September 2023

Recent advances in the asymmetric synthesis of axially chiral styrenes catalyzed by transition metals were summarized.
Topological transformation across different dimensions of supramolecular polymer via photo-isomerization
Authors: Mu Bin , Wang Liang , Yang Zhongke , Luo Xiao , Tian Wei
Published: September 2023

The utilization of a complementary photo-isomerization monomer pair realizes dimension-based topological transformation of the resulting supramolecular polymer.
Spectroscopic identification of interstellar relevant 2-iminoacetaldehyde
Authors: Drabkin Vladimir D. , Paczelt Viktor , Eckhardt André K.
Published: September 2023

Simple aldimines play a fundamental role in organic synthesis and some of them have been detected in space. Here we present the infrared and UV/Vis spectroscopic characterization of 2-iminoacetaldehyde using cryogenic matrix isolation techniques.
Bifunctional thiourea-based organocatalyst promoted kinetic resolution polymerization of racemic lactide to isotactic polylactide
Authors: Dai Jiang , Xiong Wei , Li Dong-Yu , Cai Zhongzheng , Zhu Jian-Bo
Published: September 2023

We designed a series of bifunctional thiourea-based organocatalysts by combining two stereogenic elements, which promoted kinetic resolution polymerization of racemic lactide to produce isotactic polylactide with Pm up to 0.96.
Silver nanoparticle-decorated AlN whiskers hybrids for enhancing the thermal conductivity of nanofibrillated cellulose composite films
Authors: Niu Mengyang , Zhao Zheng , Wang Baokai , Yu Chang , Li Mengyi , Hu Jiajun , Yue Ming , Lu Qipeng , Wang Qi
Published: September 2023

Aided by the synergistic effect of cross-linking AlNw and the “thermal conducting micro-bridges” of AgNPs, composite films with an extremely high in-plane thermal conductivity were prepared.
Aminoalcohol derivatives by nickel-catalyzed enantioselective coupling of imines and dienol ethers
Authors: Kim Jae Yeon , Davies Thomas Q. , Fürstner Alois
Published: September 2023

A VAPOL-derived phosphoramidite ligand is unique in that it inverts the regiochemical course of nickel-catalyzed reactions of aldimines with dienol ethers to afford 1,2-aminoalcohol derivatives with high optical purity.
Heteroepitaxial growth modes revisited
Authors: Johansson Jonas
Published: September 2023

Using classical nucleation theory, we show that the surface energy range for heteroepitaxial layer growth can be expanded for growth at elevated chemical potential difference.
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
Authors: Dubey Ritesh , Singh Sandeep
Published: September 2023

Dichlorosubstitution is utilized as a chemical probe to explore the landscape of phenol-pyridine based cocrystals.
Effects of temperature on microstructures of MSA-type electroplating solution: a coarse-grained molecular dynamics simulation
Authors: Li Teng , Liang Ce , Yu Kaifeng , Li Jichen , Lin Chengjiang , Li Hongfei , Xu Yongzi , Cai Shanshan , Zhu Qingsheng , Huang Qingrong , Xing Wei , Duan Xiaozheng
Published: September 2023

Microstructures of MSA-type electroplating solution at different temperatures.
Theoretical approaches to defect mechanisms and transport properties of compounds used for electrodes and solid-state electrolytes in alkali-ion batteries
Authors: Zulueta Yohandys A. , Nguyen Minh Tho
Published: September 2023

The role of advanced atomistic simulations in the inverted design of electrode/electrolyte for alkali-ion batteries has been demonstrated.
Simulation study on the effect of polydisperse nanoparticles on polymer diffusion in crowded environments
Authors: Hua Dao-Yang , Luo Meng-Bo
Published: September 2023

Polymer chains sub-diffuse at a sufficiently high polydispersity of nanoparticles due to the adsorption on nanoparticle clusters formed by larger nanoparticles. The disorder of nanoparticles enhances the subdiffusion of polymer chains.
Influence of crystal structure and composition on optical and electronic properties of pyridinium-based bismuth iodide complexes
Authors: Abdi Gisya , Gryl Marlena , Sławek Andrzej , Kowalewska Ewelina , Mazur Tomasz , Podborska Agnieszka , Mech Krzysztof , Zawal Piotr , Pritam Anurag , Kmita Angelika , Alluhaibi Lulu , Maximenko Alexey , Vijayakumar Chakkooth , Szaciłowski Konrad
Published: September 2023

2D structure of bismuth iodide brakes into fragments of different dimensionality and geometry upon reaction with substituted pyridinium iodides. The main factor determining the structure of the product is dipole moment of pyridinium cation.
Orange-peel derived carbon-loaded low content ruthenium nanoparticles as ultra-high performance alkaline water HER electrocatalysts
Authors: Teng Yang , Zhou Lu , Chen Yi-Zhi , Gan Jun-Zhe , Xi Ye , Jia Hai-Lang
Published: September 2023

A carbon-supported low content ruthenium nanoparticle HER catalyst derived from discarded orange-peel exhibits excellent catalytic performance in alkaline electrolytes, greatly surpassing commercial Pt/C.
Alkyl radicals from diacyl peroxides: metal-/base-/additive-free photocatalytic alkylation of N-heteroaromatics
Authors: Cheng Fukun , Fan Lulu , Lv Qiyan , Chen Xiaolan , Yu Bing
Published: September 2023

Alkyl diacyl peroxides were demonstrated to be efficient alkylating reagents for the visible-light-induced 4CzIPN-catalyzed direct C–H alkylation of N-heteroaromatics.
Aliphatic C–H arylation with heteroarenes without photocatalysts
Authors: Ci Rui-Nan , Qiao Jia , Gan Qi-Chao , Chen Bin , Tung Chen-Ho , Wu Li-Zhu
Published: September 2023

This work presents a scalable and mild strategy for aliphatic C–H arylation with heteroarenes under metal-free, photocatalyst-free and strong oxidant-free conditions.
A new technique for baseline calibration of soil X-ray fluorescence spectra based on enhanced generative adversarial networks combined with transfer learning
Authors: He Xinghua , Zhao Yanchun , Li Fusheng
Published: September 2023

The EGAN model based on transfer learning is proposed for the first time for XRF spectra background subtraction.
A biomimetic renal fibrosis progression model on-chip evaluates anti-fibrotic effects longitudinally in a dynamic fibrogenic niche
Authors: Wu Di , Wu Jianguo , Liu Hui , Shi Shengyu , Wang Liangwen , Huang Yixiao , Yu Xiaorui , Lei Zhuoyue , Ouyang Tanliang , Shen Jia , Wu Guohua , Wang Shuqi
Published: September 2023

A biomimetic renal fibrosis progression on-chip reveals the dynamic interplay between fibroblasts and kidney-derived extracellular matrix (ECM) and enables the assessment of anti-fibrosis efficacy at different fibrotic stages.
N-Alkylation of substituted alcohols through self-supported mesoporous CuMn2O4
Authors: Shou Lanyan , Yang Xue , Feng Xueting , Wang Yanqiong , Chai Kejie , Xu Weiming
Published: September 2023

Synergistic catalyzed N-alkylation hydrogen transfer of sulfonamides/anilines with alcohols through a self-supported mesoporous CuMn2O4.
NIS-mediated regioselective addition of allenamides with pyrazoles: synthesis of iodo-substituted allylic pyrazoles
Authors: Cheng Song , Gu Wen , Zhao Kun , Zhang Shu Ting , Yang Lan , Liu Qing Song , Li Xiao Xiao , Zhao Zhi Gang
Published: September 2023

Synthesis of iodine-substituted allylic pyrazoles through NIS-mediated regioselective addition of allenamides with pyrazoles.
Films of substituted zinc phthalocyanines as active layers of chemiresistive sensors for ammonia detection
Authors: Ivanova Victoria , Klyamer Darya , Tunç Gülenay , Gürbüz Fatma Dinçer , Atilla Devrim , Gürek Ayşe Gül , Sukhikh Aleksandr , Basova Tamara
Published: September 2023

Films of zinc phthalocyanines with alkylthio (–S(CH2)5CH3) and polyoxo (O(CH2CH2O)3CH3 and –S(CH2CH2O)3CH3) substituents, exhibiting liquid crystalline properties, were tested as active layers of chemiresistive sensors for the detection of ammonia.
Electrocatalytic oxygen evolution activity of surfactant-free cobalt- and manganese-based spinel oxide nanoparticles in acid
Authors: Liu Jiajie , Li Yvpei , Du Jingguo , Cao Rongrong , Zeng Zhihao , Huang Chuanqing , Wang Chao
Published: September 2023

The Co site is intrinsically more active towards the OER than the Mn site. The OER process is coupled with the dissolution–redeposition process. The OER mechanism involves a decoupled proton–electron transfer process.
A light- and redox-switchable tristable [3]rotaxane with orthogonal controllable shuttling of different wheels
Authors: Gu Xu-Hai , Yang Jiang-Xiong , Liu Li-Juan , Hai Yu , Zhan Tian-Guang , Zhang Kang-Da
Published: September 2023

Rationally integrating the photo and redox active units as recognition sites on the axle enables the construction of a fully orthogonal stimuli-responsive tristable [3]rotaxane with respective controllable shuttling processes of different wheels.
Phosphine-catalysed transformations of ortho- and para-quinone methides
Authors: Maestro Aitor , Zurro Mercedes
Published: September 2023

A powerful and straightforward way to access a variety of oxa-heterocycles and N-heterocycles: the phosphine-catalysed transformations of o-QM, p-QM and aza-o-QM.
Correction: Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu4Z12 (Z = As12, Sb12) filled skutterudite materials
Authors: Nayak Poorva , Srivastava Pankaj , Gupta Dinesh C.
Published: September 2023

Correction for ‘Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu4Z12 (Z = As12, Sb12) filled skutterudite materials’ by Poorva Nayak et al., RSC Adv., 2023, 13, 27873–27886, https://doi.org/10.1039/D3RA05546A.
A focus on detection of polymorphs by dynamic nuclear polarization solid-state nuclear magnetic resonance spectroscopy
Authors: Chen Yunhua , Mi Jiashan , Rossini Aaron J.
Published: September 2023

Cousin et al. (Chem. Sci., 2023, https://doi.org/10.1039/D3SC02063K) have demonstrated that dynamic nuclear polarization 13C solid-state nuclear magnetic resonance spectroscopy can be used to detect dilute polymorphic forms that are present within a mixture of solid forms.
Comprehensive comparative assessment of the Arabidopsis thaliana MLO2–CALMODULIN2 interaction by various in vitro and in vivo protein–protein interaction assays
Authors: von Bongartz Kira , Sabelleck Björn , Baquero Forero Anežka , Kuhn Hannah , Leissing Franz , Panstruga Ralph
Published: September 2023

Mildew resistance locus o (MLO) proteins are heptahelical integral membrane proteins of which some isoforms act as susceptibility factors for the powdery mildew pathogen. In many angiosperm plant species, loss-of-function mlo mutants confer durable broad-spectrum resistance against the fungal disease. Barley Mlo is known to interact via a cytosolic carboxyl-terminal domain with the intracellular calcium sensor calmodulin (CAM) in a calcium-dependent manner. Site-directed mutagenesis has revealed key amino acid residues in the barley Mlo calmodulin-binding domain (CAMBD) that, when mutated, affect the MLO–CAM association. We here tested the respective interaction between Arabidopsis thaliana MLO2 and CAM2 using seven different types of in vitro and in vivo protein–protein interaction assays. In each assay, we deployed a wild-type version of either the MLO2 carboxyl terminus (MLO2CT), harboring the CAMBD, or the MLO2 full-length protein and corresponding mutant variants in which two key residues within the CAMBD were substituted by non-functional amino acids. We focused in particular on the substitution of two hydrophobic amino acids (LW/RR mutant) and found in most protein–protein interaction experiments reduced binding of CAM2 to the corresponding MLO2/MLO2CT-LW/RR mutant variants in comparison with the respective wild-type versions. However, the Ura3-based yeast split-ubiquitin system and in planta bimolecular fluorescence complementation (BiFC) assays failed to indicate reduced CAM2 binding to the mutated CAMBD. Our data shed further light on the interaction of MLO and CAM proteins and provide a comprehensive comparative assessment of different types of protein–protein interaction assays with wild-type and mutant versions of an integral membrane protein.
The role of lipid scramblases in regulating lipid distributions at cellular membranes
Authors: Wang Yicheng , Kinoshita Taroh
Published: September 2023

Glycerophospholipids, sphingolipids and cholesterol assemble into lipid bilayers that form the scaffold of cellular membranes, in which proteins are embedded. Membrane composition and membrane protein profiles differ between plasma and intracellular membranes and between the two leaflets of a membrane. Lipid distributions between two leaflets are mediated by lipid translocases, including flippases and scramblases. Flippases use ATP to catalyze the inward movement of specific lipids between leaflets. In contrast, bidirectional flip-flop movements of lipids across the membrane are mediated by scramblases in an ATP-independent manner. Scramblases have been implicated in disrupting the lipid asymmetry of the plasma membrane, protein glycosylation, autophagosome biogenesis, lipoprotein secretion, lipid droplet formation and communications between organelles. Although scramblases in plasma membranes were identified over 10 years ago, most progress about scramblases localized in intracellular membranes has been made in the last few years. Herein, we review the role of scramblases in regulating lipid distributions in cellular membranes, focusing primarily on intracellular membrane-localized scramblases.
ALTercations at telomeres: stress, recombination and extrachromosomal affairs
Authors: Loe Taylor K , Lazzerini Denchi Eros , Tricola Gianna M. , Azeroglu Benura
Published: September 2023

Approximately 15% of human cancers depend on the alternative lengthening of telomeres (ALT) pathway to maintain telomeres and proliferate. Telomeres that are elongated using ALT display unique features raising the exciting prospect of tailored cancer therapies. ALT-mediated telomere elongation shares several features with recombination-based DNA repair. Strikingly, cells that use the ALT pathway display abnormal levels of replication stress at telomeres and accumulate abundant extrachromosomal telomeric DNA. In this review, we examine recent findings that shed light on the ALT mechanisms and the strategies currently available to suppress this telomere elongation mechanism.
Chirped gap solitons with Kudryashov’s law of self-phase modulation having dispersive reflectivity
Authors: Al-Ghafri Khalil S. , Sankar Mani , Krishnan Edamana V. , Biswas Anjan , Asiri Asim
Published: September 2023

The present study is devoted to investigate the chirped gap solitons with Kudryashov’s law of self-phase modulation having dispersive reflectivity. Thus, the mathematical model consists of coupled nonlinear Schrödinger equation (NLSE) that describes pulse propagation in a medium of fiber Bragg gratings (BGs). To reach an integrable form for this intricate model, the phase-matching condition is applied to derive equivalent equations that are handled analytically. By means of auxiliary equation method which possesses Jacobi elliptic function (JEF) solutions, various forms of soliton solutions are extracted when the modulus of JEF approaches 1. The generated chirped gap solitons have different types of structures such as bright, dark, singular, W-shaped, kink, anti-kink and Kink-dark solitons. Further to this, two soliton waves namely chirped bright quasi-soliton and chirped dark quasi-soliton are also created. The dynamic behaviors of chirped gap solitons are illustrated in addition to their corresponding chirp. It is noticed that self-phase modulation and dispersive reflectivity have remarkable influences on the pulse propagation. These detailed results may enhance the engineering applications related to the field of fiber BGs.
Exponential quasi-ergodicity for processes with discontinuous trajectories
Authors: Velleret Aurélien
Published: September 2023

This paper tackles the issue of establishing an upper-bound on the asymptotic ratio of survival probabilities between two different initial conditions, asymptotically in time for a given Markov process with extinction. Such a comparison is a crucial step in recent techniques for proving exponential convergence to a quasi-stationary distribution. We introduce a weak form of the Harnack’s inequality as the essential ingredient for such a comparison. This property is actually a consequence of the convergence property that we intend to prove. Its complexity appears as the price to pay for the level of flexibility required by our applications, notably for processes with jumps on a multidimensional state-space. We show in our illustrations how simply and efficiently it can be used nonetheless. As illustrations, we consider two continuous-time processes on ℝd that do not satisfy the classical Harnack’s inequality, even in a local version. The first one is a piecewise deterministic process while the second is a pure jump process with restrictions on the directions of its jumps.
Incidence of Anxiety and Depression after Achievement of
Inactive/low Disease Activity in
Axial/Spondyloarthropathy
Authors: Bayrak Esra Dilşat , Aktas Ilknur
Published: September 2023

Objectives Axial spondyloarthropathy (axSpA) is a common rheumatic disease
in young people and has important physiosocial implications. The purpose of this
study is to examine the frequency of anxiety and depression in axSpA patients
and to check whether achieving inactive/low disease activity or taking
TNF inhibitors has a positive effect on anxiety/depression and quality
of life (QOL).

Methods 149 axSpA patients were examined cross-sectionally over a period
of two years. Baseline characteristics were recorded. Disease activity is
measured using the ASDAS-CRP index. The patients were evaluated in 2 groups
according to their disease activity, as inactive-low disease activity or
moderate-high disease activity. The treatments they received were analysed into
two groups as NSAIDs and TNF inhibitors. Anxiety and depression were assessed
using the Hospital Anxiety and Depression Scale (HADS). Quality of life was
measured with the EuroQOL (EQ5D).

Results 33.6% of all axSpA patients were diagnosed with probable
anxiety disorder and 47% with probable depression. These rates were
similar in inactive-low disease activity patients, with 38% for anxiety
and 32% for depression. While the incidence of anxiety and depression
did not change between patients with inactive- low disease activity and
moderate-high disease activity (for anxiety p=0.173 and for depression
p=0.375), there was also no difference between patients receiving TNF
inhibitor treatment and NSAIDs (p=0.149 and p=0.235).
Radiographic form of axSpA was predictive of probable anxiety and depression.
Peripheral arthritis is also predictive of probable depression.

Conclusion Although axSpA patients had inactive-low disease activity and
received TNF inhibitors, there was no significant reduction in the incidence of
anxiety and depression. In addition to controlling disease activity and
inflammation, regular psychosocial assessment should be part of the management
of axSpA patients.
Discovery of Divergent, Light-Controlled Catalysis Triggered by Ligand Photodissociation from Cobalt Complexes
Authors: Vystavkin Nikita , Barday Manuel , Teskey Christopher J.
Published: September 2023

Photochemistry has become a key area of research in synthetic chemistry over the last few decades. More recently, interest has grown in merging this area with transition metal catalysis to develop new reactivity. One key photoinduced step in this context is ligand dissociation from transition metal complexes. This has been used to develop light-gated catalysis, allowing for on/off control over a reaction. However, this concept can only result in a single product outcome. Our group has focused on the development of cobalt-catalyzed reactivity switches, enabled by a simple photodissociation step, which promotes one mechanistic path or another. As such, we can use a single catalytic platform to yield two different outcomes depending on whether the reaction is irradiated with light or not. This short review will focus on works in this area by our group and others.

1 Introduction

2 Photocontrolled Hydroboration

3 Hydrogenation and Hydroformylation

4 Conclusion
Impact of Size for Gestational Age on Multivariate Analysis of Factors Associated with Necrotizing Enterocolitis in Preterm Infants: Retrospective Cohort Study
Authors: Sánchez-Rosado Mariela , Reis Jordan D. , Jaleel Mambarambath A. , Clipp Kimberly , Mangona Kate L.M. , Brown L Steven , Nelson David B. , Wyckoff Myra H. , Verma Diksha , Kiefaber Isabelle , Lair Cheryl S. , Nayak Sujir P. , Burchfield Patti J. , Thomas Anita , Brion Luc P.
Published: September 2023

Objective Necrotizing enterocolitis (NEC) primarily affects preterm, especially small for gestational age (SGA), infants. This study was designed to (1) describe frequency and timing of NEC in SGA versus non-SGA infants and (2) assess whether NEC is independently associated with the severity of intrauterine growth failure.

Study Design Retrospective cohort study of infants without severe congenital malformations born <33 weeks' gestational age (GA) carried out from 2009 to 2021. The frequency and time of NEC were compared between SGA and non-SGA infants. Multivariate logistic regression was used to assess whether NEC was independently associated with intrauterine growth restriction. Severe growth restriction was defined as birth weight Z-score <  −2.

Results Among 2,940 infants, the frequency of NEC was higher in SGA than in non-SGA infants (25/268 [9.3%] vs. 110/2,672 [4.1%], respectively, p < 0.001). NEC developed 2 weeks later in SGA than non-SGA infants. In multivariate analysis, the adjusted odds of NEC increased with extreme prematurity (<28 weeks' GA) and with severe but not moderate growth restriction. The adjusted odds of NEC increased with urinary tract infection or sepsis within a week prior to NEC, were lower in infants fed their mother's own milk until discharge, and did not change over five epochs. NEC was independently associated with antenatal steroid (ANS) exposure in infants with birth weight (BW) Z-score < 0.

Conclusion NEC was more frequent in SGA than in non-SGA infants and developed 2 weeks later in SGA infants. NEC was independently associated with severe intrauterine growth failure and with ANS exposure in infants with BW Z-score < 0.

Key Points
Timing of Endoscopic Transmural Drainage for Pancreatic Necrosis: Expanding the Horizon!
Authors: Rana Surinder Singh
Published: September 2023

Endoscopic transluminal drainage (ETD) has been traditionally performed on collections that have a well-formed enclosing wall and therefore it was advocated for walled-off necrosis. However, recently, retrospective studies have reported that ETD can be safely performed in patients with collections without a well-formed wall also and reported outcomes better than those patients who were treated with percutaneous drainage. The evidence for safety and efficacy of early ETD for infected pancreatic necrosis is scanty and therefore, in this news and views, I will be discussing a recently published systematic review and meta-analysis comparing outcomes after early (<4 weeks) and standard (≥4 weeks) drainage of pancreatic necrosis.
Boosting nanowire chemical sensors with metal-organic frameworks
Authors: Thompson Avery
Published: September 2023

Coating semiconducting nanowires with metal-organic frameworks improves trace gas detection selectivity and sensitivity.
Decreasing carbon emissions for future crop production
Authors: Lim Alane
Published: September 2023

Air bubble discharge plasma jets and magnetic fields may significantly reduce the energy cost compared to traditional nitrogen fixation methods.
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
Authors: Gelžinytė Elena , Wengert Simon , Stenczel Tamás K. , Heenen Hendrik H. , Reuter Karsten , Csányi Gábor , Bernstein Noam
Published: September 2023

Predictive atomistic simulations are increasingly employed for data intensive high throughput studies that take advantage of constantly growing computational resources. To handle the sheer number of individual calculations that are needed in such studies, workflow management packages for atomistic simulations have been developed for a rapidly growing user base. These packages are predominantly designed to handle computationally heavy ab initio calculations, usually with a focus on data provenance and reproducibility. However, in related simulation communities, e.g., the developers of machine learning interatomic potentials (MLIPs), the computational requirements are somewhat different: the types, sizes, and numbers of computational tasks are more diverse and, therefore, require additional ways of parallelization and local or remote execution for optimal efficiency. In this work, we present the atomistic simulation and MLIP fitting workflow management package wfl and Python remote execution package ExPyRe to meet these requirements. With wfl and ExPyRe, versatile atomic simulation environment based workflows that perform diverse procedures can be written. This capability is based on a low-level developer-oriented framework, which can be utilized to construct high level functionality for user-friendly programs. Such high level capabilities to automate machine learning interatomic potential fitting procedures are already incorporated in wfl, which we use to showcase its capabilities in this work. We believe that wfl fills an important niche in several growing simulation communities and will aid the development of efficient custom computational tasks.
Ionization coefficients and excess noise characteristics of AlInAsSb on an InP substrate
Authors: Ronningen T. J. , Kodati S. H. , Jin X. , Lee S. , Jung H. , Tao X. , Lewis H. I. J. , Schwartz M. , Gajowski N. , Martyniuk P. , Guo B. , Jones A. H. , Campbell J. C. , Grein C. , David J. P. R. , Krishna S.
Published: September 2023

For short-wavelength infrared (SWIR) avalanche photodiodes, a separate absorption, charge, and multiplication design is widely used. AlInAsSb on an InP substrate is a potential multiplication layer with a lattice match to absorber candidates across the SWIR. Our new measurements demonstrate that AlInAsSb on InP is a promising multiplier candidate with a relatively low dark current density of 10−4 A/cm2 at a gain of 30; a high gain, measured up to 245 in this study; and a large differentiation of electron and hole ionization leading to a low excess noise, measured to be 2.5 at a gain of 30. These characteristics are all improvements over commercially available SWIR detectors incorporating InAlAs or InP as the multiplier. We measured and analyzed gain for multiple wavelengths to extract the ionization coefficients as a function of an electric field over the range 0.33–0.6 MV/cm.
14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study
Authors: Murzakhanov F. F. , Sadovnikova M. A. , Mamin G. V. , Nagalyuk S. S. , von Bardeleben H. J. , Schmidt W. G. , Biktagirov T. , Gerstmann U. , Soltamov V. A.
Published: September 2023

The nitrogen-vacancy (NV) centers (NCVSi)− in 4H silicon carbide (SiC) constitute an ensemble of spin S = 1 solid state qubits interacting with the surrounding 14N and 29Si nuclei. As quantum applications based on a polarization transfer from the electron spin to the nuclei require the knowledge of the electron–nuclear interaction parameters, we have used high-frequency (94 GHz) electron–nuclear double resonance spectroscopy combined with first-principles density functional theory to investigate the hyperfine and nuclear quadrupole interactions of the basal and axial NV centers. We observed that the four inequivalent NV configurations (hk, kh, hh, and kk) exhibit different electron–nuclear interaction parameters, suggesting that each NV center may act as a separate optically addressable qubit. Finally, we rationalized the observed differences in terms of distinctions in the local atomic structures of the NV configurations. Thus, our results provide the basic knowledge for an extension of quantum protocols involving the 14N nuclear spin.
The impact of device length on the electron’s effective mobility
Authors: Azimi Alireza , Azimi Mohammadreza , Shur Michael S. , O’Leary Stephen K.
Published: September 2023

Within the framework of an electron transport regime classification scheme, we aim to explore the boundaries that occur between the ballistic, collision-dominated, space-charge injection, and non-space-charge injection electron transport regimes that are experienced by an electron within a semiconducting device, mapping out where these different electron transport regimes are. We do this by determining the electron’s mean free path and the relevant screening length. In order to make this analysis concrete, we perform this analysis for four representative semiconductor material systems, including silicon, gallium arsenide, the 4H-phase of silicon carbide, and the wurtzite phase of gallium nitride. The entire analysis is performed using a two-dimensional approach, this being representative of the electron transport that is experienced by an electron in the vicinity of a two-dimensional electron gas. Finally, following an evaluation of the dependence of the ballistic mobility on the device length scale for all four materials, an evaluation of the effective mobility as a function of the channel-length scale is pursued, a Matthiessen-rule based approach being employed for the purposes of this analysis.
Companion Rabbits: A Case Study Concerning Sudden-Onset Inappropriate Urination
Authors: Fry BSc (Hons) MSc CCAB Deborah
Published: September 2023

Despite their domestication some 1500 years ago, the behavioural repertoire of companion rabbits barely differs from that of wild rabbits. When presented with a companion rabbit behaviour issue, it is, therefore, necessary to consider their management in relation to the habitat, biology and behaviour of wild rabbits. Health factors may also be implicated; although as a prey species, rabbits naturally hide signs of disease or injury. This can complicate a health diagnosis.

This case study concerns an elderly spayed female indoor rabbit, Meg, who shared a positive relationship with her caregiver. Meg had experienced degenerative musculoskeletal changes for which treatment was on-going, and had previously had treatment for dental spurs and pododermatitis. Prior to Meg’s behaviour assessment, her caregiver sought advice from their Veterinary Surgeon due to Meg’s recent-onset urination outside her litter-trays overnight and occasionally during the day. The Veterinary Surgeon referred Meg to a Certificated Clinical Animal Behaviourist (CCAB) for a behaviour assessment which was conducted remotely using a questionnaire, home-layout diagram, photographs, video-footage and video-conference software. A behaviour diagnosis was made regarding Meg’s emotional and motivational state, and additional stressors were identified. Due to likely health and behaviour overlap, the CCAB further liaised with the referring Veterinary Surgeon. A treatment plan was devised, which Meg’s caregiver diligently implemented. Meg responded well to her treatment plan and over the course of 3 weeks, inappropriate urination ceased. In turn, the welfare of Meg and her caregiver significantly improved.

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Vps60 initiates alternative ESCRT-III filaments
Authors: Pfitzner Anna-Katharina , Zivkovic Henry , Bernat-Silvestre César , West Matt , Peltier Tanner , Humbert Frédéric , Odorizzi Greg , Roux Aurélien
Published: September 2023

Endosomal sorting complex required for transport-III (ESCRT-III) participates in essential cellular functions, from cell division to endosome maturation. The remarkable increase of its subunit diversity through evolution may have enabled the acquisition of novel functions. Here, we characterize a novel ESCRT-III copolymer initiated by Vps60. Membrane-bound Vps60 polymers recruit Vps2, Vps24, Did2, and Ist1, as previously shown for Snf7. Snf7- and Vps60-based filaments can coexist on membranes without interacting as their polymerization and recruitment of downstream subunits remain spatially and biochemically separated. In fibroblasts, Vps60/CHMP5 and Snf7/CHMP4 are both recruited during endosomal functions and cytokinesis, but their localization is segregated and their recruitment dynamics are different. Contrary to Snf7/CHMP4, Vps60/CHMP5 is not recruited during nuclear envelope reformation. Taken together, our results show that Vps60 and Snf7 form functionally distinct ESCRT-III polymers, supporting the notion that diversification of ESCRT-III subunits through evolution is linked to the acquisition of new cellular functions.
A Quorum Sensing Active Matter in a Confined Geometry
Authors: Zhou 周 Yuxin 雨欣 , Li 李 Yunyun 云云 , Marchesoni Fabio
Published: September 2023

Inspired by the problem of biofilm growth, we numerically investigate clustering in a two-dimensional suspension of active (Janus) particles of finite size confined in a circular cavity. Their dynamics is regulated by a non-reciprocal mechanism that causes them to switch from active to passive above a certain threshold of the perceived near-neighbor density (quorum sensing). A variety of cluster phases, i.e., glassy, solid (hexatic) and liquid, are observed, depending on the particle dynamics at the boundary, the quorum sensing range, and the level of noise.
Banks of templates for directed and all-sky narrow-band searches of continuous gravitational waves from spinning neutron stars with several spindowns
Authors: Pisarski Andrzej , Jaranowski Piotr
Published: September 2023

We construct efficient banks of templates suitable for searches of continuous gravitational waves from isolated spinning neutron stars. We assume that the search algorithm is based on the time-domain maximum-likelihood

F

-statistic and we consider narrow-band searches with several spindown parameters included. Our template banks are suitable for both all-sky and directed searches and they enable the usage of the fast Fourier transform in the computation of the

F

-statistic as well as, in the case of all-sky searches, efficient resampling of data to barycentric time.
Compact wideband filter with wide stopband using transition-free spoof surface plasmon polaritons
Authors: Ren Baoping , Qin Chunhua , Guan Xuehui , Xu Kai-Da
Published: September 2023

In this article, a newly spoof surface plasmon polaritons (SSPPs) is proposed and used to design a compact wideband bandpass filter (BPF). Different from the traditional SSPP unit cell with one-shaped structure, the unit cell of the proposed SSPPs consists of an H-shaped slotline and a bilateral T-shaped slotline. Benefiting from the hybrid structure, no transition portion is needed for impedance matching in the design of the microwave filter, which highly reduces the horizontal size of the SSPPs-based filter. The transition structure of microstrip to slotline provides a capacitance with a highpass frequency response, which enables the realization of a passband by cooperating with the natural lowpass property of SSPPs. Also, the upper and lower cutoff frequencies of the proposed filter can be adjusted independently by the key parameters. Besides, a wide upper stopband can be obtained by properly designing the SSPPs unit cell and the microstrip to slotline structure. Finally, a well-designed BPF operated at 1.3–6.2 GHz and its upper stopband rejection reaching 20 GHz is fabricated and measured. The test results are in good agreement with the simulations, which verifies the feasibility of the proposed structure and design method.
Bare W-based MXenes (WCrC and MoWC) anode with high specific capacity for Li and Mg-ion batteries
Authors: Zhou Min , Shen Yanqing , Lv LingLing , Zhang Yu , Meng Xianghui , Yang Xin , He Qirui , Zhang Bing , Zhou Zhongxiang
Published: September 2023

The emergence of double transition metal MXenes (DTMs) has addressed the challenges associated with the high molar weight and non-metallic characteristics of early transition metal MXenes. In this study, we investigate the performance of WCrC and MoWC, DTMs, as anodes in Li/Mg-ion batteries (LIBs/MIBs) using first-principles calculations. The synergistic effect between the dual metal terminals is analyzed. Our findings reveal that the W terminal provides good electronic conductivity, while the Mo/Cr terminal reduces the molar mass, leading to enhanced energy density. The theoretical capacitance values are 648.81 mAh g−1 (WCrC anode) and 551.82 mAh g−1 (MoWC anode) in LIB, and 432.54 mAh g−1 (WCrC anode) and 367.88 mAh g−1 (MoWC anode) in MIBs. Both anodes exhibit low diffusion barriers with 0.045 eV for Li and 0.079 eV for Mg. They also maintain structural rigidity throughout the battery cycle. This study highlights the crucial role of the dual metal transition terminal synergistic effect in MXenes, influencing adatom adsorption behavior, reducing molar mass, and lowering diffusion barriers. These results contribute to the advancement of MXene surface engineering and offer valuable insights for battery research.
GNSS-INS-dynamic fusion with robustness to outliers based on external force state estimation
Authors: Ye Xiaoyu , Song Fujun , Tang Meng , Guo Yunwei , Zeng Qinghua
Published: September 2023

Multi-source information fusion state estimation algorithms are an important means for drones to perceive ego-state, and accurate and robust estimation of external forces is crucial for precise control of quadrotors. This paper proposes a method that integrates a dynamic model into a multi-rate extended Kalman filter (EKF) framework on manifold. By estimating the magnitude of the external force acting on vehicle, meanwhile, a dynamic constraint on velocity loop is established to reduce the discrepancy between the model-predicted motion and the actual motion. Moreover, the estimated external force is integrated into the zero velocity update criterion for zero speed judgment, effectively reducing false detections while improving the accuracy of zero speed state recognition. However, multi-source measurements significantly increase the probability of data signal errors. To address this issue, we use a robust estimation algorithm to improve EKF’s sensitivity to abnormal measurements, flexibly adjusting measurement weights while rejecting unreasonable measurements. Validation with open-source indoor and outdoor datasets shows that our algorithm improves pose estimation performance while maintaining accurate positioning accuracy compared to non-dynamic fusion under the same filtering parameters, particularly in global navigation satellite system short time denied. It provides accurate external force estimation, offering multi-source data support in areas such as human–machine interaction and carrying variable mass payloads.