bluuebunny/crossref_metadata_2025 huggingface dataset:
Predicting long-term time to cardiovascular incidents using myocardial perfusion imaging and deep convolutional neural networks
Authors: Li Yi-Lian , Leu Hsin-Bang , Ting Chien-Hsin , Lim Su-Shen , Tsai Tsung-Ying , Wu Cheng-Hsueh , Chung I-Fang , Liang Kung-Hao
Published: February 2024

Myocardial perfusion imaging (MPI) is a clinical tool which can assess the heart's perfusion status, thereby revealing impairments in patients' cardiac function. Within the MPI modality, the acquired three-dimensional signals are typically represented as a sequence of two-dimensional grayscale tomographic images. Here, we proposed an end-to-end survival training approach for processing gray-scale MPI tomograms to generate a risk score which reflects subsequent time to cardiovascular incidents, including cardiovascular death, non-fatal myocardial infarction, and non-fatal ischemic stroke (collectively known as Major Adverse Cardiovascular Events; MACE) as well as Congestive Heart Failure (CHF). We recruited a total of 1928 patients who had undergone MPI followed by coronary interventions. Among them, 80% (n = 1540) were randomly reserved for the training and 5- fold cross-validation stage, while 20% (n = 388) were set aside for the testing stage. The end-to-end survival training can converge well in generating effective AI models via the fivefold cross-validation approach with 1540 patients. When a candidate model is evaluated using independent images, the model can stratify patients into below-median-risk (n = 194) and above-median-risk (n = 194) groups, the corresponding survival curves of the two groups have significant difference (P < 0.0001). We further stratify the above-median-risk group to the quartile 3 and 4 group (n = 97 each), and the three patient strata, referred to as the high, intermediate and low risk groups respectively, manifest statistically significant difference. Notably, the 5-year cardiovascular incident rate is less than 5% in the low-risk group (accounting for 50% of all patients), while the rate is nearly 40% in the high-risk group (accounting for 25% of all patients). Evaluation of patient subgroups revealed stronger effect size in patients with three blocked arteries (Hazard ratio [HR]: 18.377, 95% CI 3.719–90.801, p < 0.001), followed by those with two blocked vessels at HR 7.484 (95% CI 1.858–30.150; p = 0.005). Regarding stent placement, patients with a single stent displayed a HR of 4.410 (95% CI 1.399–13.904; p = 0.011). Patients with two stents show a HR of 10.699 (95% CI 2.262–50.601; p = 0.003), escalating notably to a HR of 57.446 (95% CI 1.922–1717.207; p = 0.019) for patients with three or more stents, indicating a substantial relationship between the disease severity and the predictive capability of the AI for subsequent cardiovascular inciidents. The success of the MPI AI model in stratifying patients into subgroups with distinct time-to-cardiovascular incidents demonstrated the feasibility of proposed end-to-end survival training approach.
Comparative antioxidant activity and phytochemical content of five extracts of Pleurotus ostreatus (oyster mushroom)
Authors: Effiong Magdalene Eno , Umeokwochi Chidinma Precious , Afolabi Israel Sunmola , Chinedu Shalom Nwodo
Published: February 2024

Reactive oxygen species reacts with numerous molecules in the body system causing oxidative damage, which requires antioxidants to ameliorate. Pleurotus ostreatus, a highly nutritious edible mushroom, has been reported to be rich in bioactive compounds. This study evaluated the comparative antioxidant activity and phytochemical contents of five extracts of P. ostreatus: aqueous (AE), chloroform (CE), ethanol (EE), methanol (ME) and n-hexane (HE). The phytochemical composition and antioxidant activity of the extracts were determined using standard in-vitro antioxidant assay methods. Results showed that the extracts contained alkaloids, tannins, saponins, flavonoids, terpenoids, phenolics, cardiac glycosides, carbohydrates, anthrocyanins, and betacyanins in varied amounts. CE had the highest flavonoid content (104.83 ± 29.46 mg/100 g); AE gave the highest phenol content of 24.14 ± 0.02 mg/100 g; tannin was highest in EE (25.12 ± 0.06 mg/100 g); HE had highest amounts of alkaloids (187.60 ± 0.28 mg/100 g) and saponins (0.16 ± 0.00 mg/100 g). Antioxidant analyses revealed that CE had the best hydroxyl radical activity of 250% at 100 µg/ml and ferric cyanide reducing power of 8495 µg/ml; ME gave the maximum DPPH activity (87.67%) and hydrogen peroxide scavenging activity (65.58%) at 500 µg/ml; EE had the highest nitric oxide radical inhibition of 65.81% at 500 µg/ml and ascorbate peroxidase activity of 1.60 (iU/l). AE had the best total antioxidant capacity (5.27 µg/ml GAE at 500 µg/ml) and ferrous iron chelating activity (99.23% at 100 µg/ml) while HE gave the highest guaiacol peroxidase activity of 0.20(iU/l). The comparative phytochemical and antioxidant characteristics (IC50) of the extracts followed the order: CE > AE > EE > ME > HE. Overall, chloroform was the best extraction solvent for P. ostreatus. The high content of phenolic compounds, flavonoids, and alkaloids in P. ostreatus makes it a rich source of antioxidants and potential candidate for the development of new therapies for a variety of oxidative stress-related disorders.
Structure of recombinant formate dehydrogenase from Methylobacterium extorquens (MeFDH1)
Authors: Park Junsun , Heo Yoonyoung , Jeon Byoung Wook , Jung Mingyu , Kim Yong Hwan , Lee Hyung Ho , Roh Soung-Hun
Published: February 2024

Formate dehydrogenase (FDH) is critical for the conversion between formate and carbon dioxide. Despite its importance, the structural complexity of FDH and difficulties in the production of the enzyme have made elucidating its unique physicochemical properties challenging. Here, we purified recombinant Methylobacterium extorquens AM1 FDH (MeFDH1) and used cryo-electron microscopy to determine its structure. We resolved a heterodimeric MeFDH1 structure at a resolution of 2.8 Å, showing a noncanonical active site and a well-embedded Fe-S redox chain relay. In particular, the tungsten bis-molybdopterin guanine dinucleotide active site showed an open configuration with a flexible C-terminal cap domain, suggesting structural and dynamic heterogeneity in the enzyme.
Schedule risk model of water intake tunnel construction considering mood factors and its application
Authors: Li Xin , Sun Wei , Fu Honggang , Bu Qingsheng , Zhang Zhiguang , Huang Jian , Zang Dongnian , Sun Yuan , Ma Yong , Wang Rui , Hu Jingjing , Shen Yanan
Published: February 2024

The mood index $$r$$
r
was used to describe evaluator attitudes regarding the progress of a project that formed the basis of a construction period prediction model. The degrees of pessimism $$\alpha$$
α
and optimism $$\beta$$
β
were introduced, and an analysis model was established using $$\alpha$$
α
and $$\beta$$
β
to predict the construction period and completion probability Firstly, the absolute construction period of each process of tunnel No. 2 can be obtained according to the measured daily average footage of each process of tunnel No. 1. Secondly, the probability of the stoppage caused by different factors can be obtained after the statistical analysis of the factors responsible for the stoppage of tunnel No. 1. Finally, the expected construction period and completion probability of tunnel No. 2 under different pessimism and optimism conditions are obtained by using the progress risk analysis theory of emotional models and the program evaluation and review technique method. An engineering application showed that the expected construction period increased, and the completion probability decreased considerably with increasing pessimism; the opposite trend occurred as optimism increased. During the process of risk management and control, the prediction model can be used to perform precise quantitative analysis of the expected construction period and completion probability, reduce the blindness of construction management, control decisions of complex giant tunnel projects, and provide a more accurate basis for decision makers to judge risks. The findings of this study can be applied to hydraulic tunnels and can provide a reference for traffic tunnels, railway tunnels, and other similar projects.
INHBA(+) cancer-associated fibroblasts generate an immunosuppressive tumor microenvironment in ovarian cancer
Authors: Hu Ye , Recouvreux Maria Sol , Haro Marcela , Taylan Enes , Taylor-Harding Barbie , Walts Ann E. , Karlan Beth Y. , Orsulic Sandra
Published: February 2024

Effective targeting of cancer-associated fibroblasts (CAFs) is hindered by the lack of specific biomarkers and a poor understanding of the mechanisms by which different populations of CAFs contribute to cancer progression. While the role of TGFβ in CAFs is well-studied, less attention has been focused on a structurally and functionally similar protein, Activin A (encoded by INHBA). Here, we identified INHBA(+) CAFs as key players in tumor promotion and immunosuppression. Spatiotemporal analyses of patient-matched primary, metastatic, and recurrent ovarian carcinomas revealed that aggressive metastatic tumors enriched in INHBA(+) CAFs were also enriched in regulatory T cells (Tregs). In ovarian cancer mouse models, intraperitoneal injection of the Activin A neutralizing antibody attenuated tumor progression and infiltration with pro-tumorigenic subsets of myofibroblasts and macrophages. Downregulation of INHBA in human ovarian CAFs inhibited pro-tumorigenic CAF functions. Co-culture of human ovarian CAFs and T cells revealed the dependence of Treg differentiation on direct contact with INHBA(+) CAFs. Mechanistically, INHBA/recombinant Activin A in CAFs induced the autocrine expression of PD-L1 through SMAD2-dependent signaling, which promoted Treg differentiation. Collectively, our study identified an INHBA(+) subset of immunomodulatory pro-tumoral CAFs as a potential therapeutic target in advanced ovarian cancers which typically show a poor response to immunotherapy.
Accelerating materials language processing with large language models
Authors: Choi Jaewoong , Lee Byungju
Published: February 2024

Materials language processing (MLP) can facilitate materials science research by automating the extraction of structured data from research papers. Despite the existence of deep learning models for MLP tasks, there are ongoing practical issues associated with complex model architectures, extensive fine-tuning, and substantial human-labelled datasets. Here, we introduce the use of large language models, such as generative pretrained transformer (GPT), to replace the complex architectures of prior MLP models with strategic designs of prompt engineering. We find that in-context learning of GPT models with few or zero-shots can provide high performance text classification, named entity recognition and extractive question answering with limited datasets, demonstrated for various classes of materials. These generative models can also help identify incorrect annotated data. Our GPT-based approach can assist material scientists in solving knowledge-intensive MLP tasks, even if they lack relevant expertise, by offering MLP guidelines applicable to any materials science domain. In addition, the outcomes of GPT models are expected to reduce the workload of researchers, such as manual labelling, by producing an initial labelling set and verifying human-annotations.
VHL suppresses autophagy and tumor growth through PHD1-dependent Beclin1 hydroxylation
Authors: Wang Zheng , Yan Meisi , Ye Leiguang , Zhou Qimin , Duan Yuran , Jiang Hongfei , Wang Lei , Ouyang Yuan , Zhang Huahe , Shen Yuli , Ji Guimei , Chen Xiaohan , Tian Qi , Xiao Liwei , Wu Qingang , Meng Ying , Liu Guijun , Ma Leina , Lei Bo , Lu Zhimin , Xu Daqian
Published: February 2024

The Von Hippel–Lindau (VHL) protein, which is frequently mutated in clear-cell renal cell carcinoma (ccRCC), is a master regulator of hypoxia-inducible factor (HIF) that is involved in oxidative stresses. However, whether VHL possesses HIF-independent tumor-suppressing activity remains largely unclear. Here, we demonstrate that VHL suppresses nutrient stress-induced autophagy, and its deficiency in sporadic ccRCC specimens is linked to substantially elevated levels of autophagy and correlates with poorer patient prognosis. Mechanistically, VHL directly binds to the autophagy regulator Beclin1, after its PHD1-mediated hydroxylation on Pro54. This binding inhibits the association of Beclin1-VPS34 complexes with ATG14L, thereby inhibiting autophagy initiation in response to nutrient deficiency. Expression of non-hydroxylatable Beclin1 P54A abrogates VHL-mediated autophagy inhibition and significantly reduces the tumor-suppressing effect of VHL. In addition, Beclin1 P54-OH levels are inversely correlated with autophagy levels in wild-type VHL-expressing human ccRCC specimens, and with poor patient prognosis. Furthermore, combined treatment of VHL-deficient mouse tumors with autophagy inhibitors and HIF2α inhibitors suppresses tumor growth. These findings reveal an unexpected mechanism by which VHL suppresses tumor growth, and suggest a potential treatment for ccRCC through combined inhibition of both autophagy and HIF2α.
Heterologous antigen selection of chicken single-chain variable fragments against thiamethoxam
Authors: He Jinxin , Wang Yating , Wang Di , Yang Yayun , Xue Xianle , Xu Ting , Gu Shaopeng , Tang Fang
Published: February 2024

Single-chain variable fragments (scFvs) are valuable in the development of immunoassays for pesticide detection.
Copper(ii)-based metal–organic framework delivery of calcium ascorbate for enhanced chemodynamic therapy via H2O2 self-supply and glutathione depletion
Authors: Zhang Meng , Xue Hongjin , Yang Jiaxin , Zhao Xin , Xue Mei , Sun Wei , Qiu Jianfeng , Zhu Zhihong
Published: February 2024

A Cu/ZIF-8/Vc-Ca/HA nanosystem synchronously releases Fenton catalytic Cu2+ and Vc-Ca to achieve improved chemodynamic therapy via H2O2 self-supply and GSH depletion.
ZrN films with low resistivity under different chamber pressures by MOCVD
Authors: Chen Qingqing , Li Chengming , Yang Shaoyan , Li Huijie , Rui Yang , Yao Weizhen , Wei Hongyuan , Liu Xianglin
Published: February 2024

ZrN films prepared on Si substrates by MOCVD exhibit superior conductivity and specular reflectivity in the red & near-infrared bands.
Interaction of low-energy electrons with radiosensitizers
Authors: Sedmidubská Barbora , Kočišek Jaroslav
Published: February 2024

We review the progress in low-energy electron collisions with molecular systems relevant to developing new chemo-radiotherapies and provide an experimentalist's perspective of the field.
Axial–equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem
Authors: Li Hanwei , Brémond Eric , Sancho-García Juan Carlos , Pérez-Jiménez Ángel José , Scalmani Giovanni , Frisch Michael J. , Adamo Carlo
Published: February 2024

The axial–equatorial equilibrium in mono-substituted cyclohexanes, governed by the interplay of London dispersion and steric repulsion, is a textbook example that many density functional approximations cannot easily handle.
Highly dispersed Cs2O/SiO2 catalysts for selective intramolecular dehydration of ethylene glycol monoethyl ether to ethyl vinyl ether
Authors: Tao Huiqin , Chen Chenju , Bao An , Ji Tiangang , Wei Chao , Zhang Chunlei
Published: February 2024

Highly selective intramolecular dehydration of ethylene glycol monoethyl ether to ethyl vinyl ether over dispersed Cs2O/SiO2 catalysts.
Improvement of electrocatalytic water oxidation activity of novel copper complex by modulating the axial coordination of phosphate on metal center
Authors: Wang Jieying , Ping Yezi , Chen Yanmei , Liu Shanshan , Dong Jinfeng , Ruan Zhijun , Liang Xiangming , Lin Junqi
Published: February 2024

Two Cu complexes were studied as electrocatalyst for water oxidation. Experiment and theoretical research indicate that the tertiary amine-coordinated structure abates the coordination of phosphate anion on Cu center and benefits oxygen evolution.
Preparation of silyl-terminated branched polyethylenes catalyzed by Brookhart's nickel diimine complex activated with hydrosilane/B(C6F5)3
Authors: Varga Vojtech , Pokorná Kristýna , Lamač Martin , Horáček Michal , Pinkas Jiří
Published: February 2024

Ethylene polymerization catalyzed by Brookhart's nickel α-diimine complex activated with hydrosilane/B(C6F5)3 system (SiHB) produced branched polyethylenes terminated with hydrosilyl group.
Morphology regulation of conductive metal–organic frameworks in situ grown on graphene oxide for high-performance supercapacitors
Authors: Zhang Haoliang , Yang Lan , Li Xu , Ping Yunjie , Han Jinzhao , Chen Si , He Chunqing
Published: February 2024

In this work, nickel-catecholate (Ni-CAT) were in situ compounded on graphene oxide (GO) to form a composite Ni-CAT@GO (NCG) with a “blanket-shape” structure, with the composite ratio tuned to achieve the optimal properties for supercapacitors.
Mixing mechanisms of lead nanoparticles with mineral particles: implication of atmospheric transportation of lead
Authors: Ji Yongpeng , Shi Qiuju , Zhao Baocong , Wu Ziqi , Wang Jiaxin , Zhang Weina , Chen Jiangyao , Ji Yuemeng , An Taicheng
Published: February 2024

Lead nanoparticles rapidly mix with sand and dust (SD) particles to form mixed particles during SD storms period and have significant potential to be transported by SD particles in atmosphere.
Constructing a green oleaginous yeast cell factory for sustainable production of the plant-derived diterpenoid sclareol
Authors: Sun Mei-Li , Han Yuting , Yu Xiao , Wang Kaifeng , Lin Lu , Ledesma-Amaro Rodrigo , Ji Xiao-Jun
Published: February 2024

This study provides a green oleaginous yeast cell factory for sustainable production of sclareol, a significant precursor of fragrance molecules.
A microfluidic chip for sustained oxygen gradient formation in the intestine ex vivo
Authors: Delong Lauren M. , Witt Colby E. , Pennell Madison , Ross Ashley E.
Published: February 2024

Here, we have developed a 3D printed microfluidic device capable of oxygen gradient formation within intestinal tissue slices ex vivo. The device is open-welled and compatible with external electrochemical recording during tissue analysis.
Synthesis, characterization, and magnetic and antibacterial properties of a novel iron(iii) complex (CH3)2NH2[Fe(phen)Cl4]
Authors: Ben Abdelhadi Asmae , Rodríguez-Sánchez Sara , Ouarsal Rachid , Saadi Mohamed , El Ammari Lahcen , Morley Nicola , El Bali Brahim , Gómez-Torres Óscar , Lachkar Mohammed , Douhal Abderrazzak
Published: February 2024

A new iron(iii) complex (CH3)2NH2[Fe(phen)Cl4] (phen = 1,10-phenanthroline) is prepared and characterized via different techniques. It shows a paramagnetic behavior and in vitro antibacterial activity against antibiotic-resistant bacteria.
A coral-like nano-PCF composite as a broad-bandwidth microwave absorber
Authors: Wang Aiqiong , Li Jianxiong , Zhao Xiaoming
Published: February 2024

A coral-like polyaniline (PANI)/CoFe2O4 (CFO) (PCF) nanocomposite microwave absorber (MWA) was synthesized and its microwave-shielding properties examined.
Realizing efficient broadband near-infrared emission and multimode photoluminescence switching via coordination structure modulation in Sb3+-doped 0D organic metal chlorides
Authors: Yu Shuiyue , Peng Hui , Wei Qilin , Li Tongzhou , Huang Weiguo , He Xuefei , Du Zhentao , Zhao Jialong , Zou Bingsuo
Published: February 2024

We developed three NIR emitters of Sb3+-doped 0D organic metal chlorides and demonstrated their night vision applications in night vision. One shows tunable emission characteristics and applications in quintuple-mode fluorescence anti-counterfeiting and information encryption.
Nanoencapsulation of general anaesthetics
Authors: Abdoullateef Basma M. T. , El-Din Al-Mofty Saif , Azzazy Hassan M. E.
Published: February 2024

General anaesthetics (etomidate, ketamine, propofol) may be encapsulated in different nanocarriers to facilitate their ability to cross the blood brain barrier while reducing their side effects.
Controlling Pt nanoparticle sintering by sub-monolayer MgO ALD thin films
Authors: Zhang Zhiwei , Filez Matthias , Solano Eduardo , Poonkottil Nithin , Li Jin , Minjauw Matthias M. , Poelman Hilde , Rosenthal Martin , Brüner Philipp , Galvita Vladimir V. , Detavernier Christophe , Dendooven Jolien
Published: February 2024

Metal nanoparticle (NP) sintering is a major cause of catalyst deactivation, as NP growth reduces the surface area available for reaction.
Nanoconfinement of ultra-small Bi2Te3 nanocrystals on reduced graphene oxide: a pathway to high-performance sodium-ion battery anodes
Authors: Cheng Zhuoying , Li Zhuo , Wang Yuao , Mao Yiyang , Yan Jun , Cao Dianxue , Zhu Kai
Published: February 2024

A universal space-containment strategy is developed to synthesize ultra-small Bi2Te3 nanocrystals on reduced graphene oxides. The Bi2Te3/rGO composite material shows a significant Na+ storage behavior as anode materials.
Protecting group-free introduction of amino acids to polymers through the aza-Michael reaction
Authors: Lu Guanhua , Brook Michael A.
Published: February 2024

The incorporation of natural amino acids onto a silicone framework is efficiently and simply achieved, without protecting groups or solvents, by using aza-Michael addition to acrylate-modified silicones.
Adsorption of lead ions from wastewater using electrospun zeolite/MWCNT nanofibers: kinetics, thermodynamics and modeling study
Authors: Mahmood Urwa , Alkorbi Ali S. , Hussain Tanveer , Nazir Ahsan , Qadir Muhammad Bilal , Khaliq Zubair , Faheem Sajid , Jalalah Mohammed
Published: February 2024

Heavy metal contamination in wastewater is a serious environmental issue due to the toxicity of metals like lead.
Investigation of the electronic and optical properties of bilayer CdS as a gas sensor: first-principles calculations
Authors: Alaarage Warood Kream , Abo Nasria Abbas H. , Hussein Tamadhur Alaa , Abbood Hamid Ibrahim
Published: February 2024

Phonon dispersion curves of pristine CdS bilayer.
A machine learning based approach to reaction rate estimation
Authors: Johnson Matthew S. , Green William H.
Published: February 2024

Development of a machine learning algorithm for automatically training subgraph isomorphic decision trees (SIDT) to predict reaction rate coefficients.
Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder
Authors: Villard Justin , Bircher Martin P. , Rothlisberger Ursula
Published: February 2024

This study incorporates Minnesota density functionals into the current knowledge of describing the structural and dynamical properties of liquid water through ab initio molecular dynamics, with M06-2X(-D3) functionals showing the most promise.
Screening and property targeting of thermochemical energy storage materials in concentrated solar power using thermodynamics-based insights and mathematical optimization
Authors: Bajaj Ishan , Peng Xinyue , Maravelias Christos T.
Published: February 2024

We propose a computational framework to systematically identify promising solid–gas reaction candidates for thermochemical energy storage (TCES) in concentrating solar power (CSP) plants.
Recent developments of polymer-based encapsulants and backsheets for stable and high-performance silicon photovoltaic modules: materials nanoarchitectonics and mechanisms
Authors: Kim Donggyun , Lim Hyunsoo , Kim Sung Hyun , Lee Kang No , You Jungmok , Ryu Du Yeol , Kim Jeonghun
Published: February 2024

This review offers a detailed look at materials in encapsulation and backsheets for crystalline silicon photovoltaic (c-Si PV) modules, along with recent research advancements for performance enhancement.
Hollow structural materials derived from a MOFs/polymer loaded CoRu alloy for significantly boosting electrochemical overall water splitting
Authors: Hu Yin , Wang Congcong , Liu Ying , Lin Hongyan , Zhang Kai
Published: February 2024

A CoRu@N-doped carbon hollow nanostructure (CoRu@NCHNS) material was prepared by using MOFs as precursors. CoRu@NCHNSs exhibited excellent hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) performances.
Construction of macroporous MOF-derived single leaf-like cellular skeleton for boosting advanced oxidation processes
Authors: Wang Jiemin , Xiao Wenkai , Wang Xu , Sun Xuhui , An Meng , Zhao Changsheng
Published: February 2024

A single leaf-like cellular NiCoOv skeleton derived from macroporous–microporous ZIF-L crystal is synthesized, with enhanced mass transfer and rich active sites for boosting the catalytic activity towards advanced oxidation processes.
Generalizable, tunable control of divalent cation solvation structure via mixed anion contact ion pair formation
Authors: Lavan Sydney N. , Ilic Stefan , Viswanath Shashwat , Jain Akash , Assary Rajeev S. , Connell Justin G.
Published: February 2024

Multi-anion electrolytes form mixed anion contact ion pairs (CIPs), even when the constituent anions do not form CIPs in isolation. Mixed anion CIPs are shown to be general for divalent cations, and their relative fraction is tunable by composition.
The toxicity response of the electrochemical signal of the cell to the drug metabolized by the S9 system
Authors: Zhang Jiahuan , Fei Chaoqun , Qi Shulan , Fu Jiaqi , Zhou Shi , Wang Zhong , Li Jinlian , Zhao Yanli , Wu Dongmei
Published: February 2024

The cytotoxicity of drugs metabolized by the S9 system can be precisely detected by electrochemical voltammetry.
Carbon-coated Ni0.5Mg0.5Fe1.7Mn0.3O4 nanoparticles as a novel anode material for high energy density lithium-ion batteries
Authors: Kouchi Khadija , Tayoury Marwa , Chari Abdelwahed , Hdidou Loubna , Chchiyai Zakaria , El kamouny Khadija , Tamraoui Youssef , Manoun Bouchaib , Alami Jones , Dahbi Mouad
Published: February 2024

The Ni0.5Mg0.5Fe1.7Mn0.3O4/C composite electrode demonstrates a higher capacity (>800 mAh g−1), surpassing graphite and other spinel anodes. With an energy density of 360 Wh kg−1, it shows promising potential for enhancing the electrochemical performance of Li-ion batteries.
Efficient pollutant degradation by peroxymonosulfate activated by a Co/Mn metal–organic framework
Authors: Li Ya , Wang Chong-Chen , Wang Fu-Xue , Liu Xing-Yuan , Wang Peng , Wang Fei , Sun Mingyi , Yu Baoyi
Published: February 2024

A new 3D Co/Mn-MOF was synthesized by a one-pot solvothermal method, and it exhibited excellent SR-AOP catalysis performance and cycling stability.
Coupling of electrocatalytic CO2 reduction and CH4 oxidation for efficient methyl formate electrosynthesis
Authors: Zhang Quan , Chen Yangshen , Yan Shuai , Lv Ximeng , Yang Chao , Kuang Min , Zheng Gengfeng
Published: February 2024

The coupling of CO2 reduction and CH4 oxidation in an integrated electrochemical system is demonstrated, in which the formed HCOO− further reacts with CH3Cl to yield methyl formate, with excellent production rate, energy efficiency, and stability.
Photofabrication of fluorescent nanospheres from de novo designed peptides, and their enzyme-responsive dissociation in living cells
Authors: He Sijie , Shu Xiang , Wang Zhaoyang , Gao Xue-Wang , Feng Ke , Yang Shumin , Shao Jianqun , Xie Nan
Published: February 2024

Photochemical synthesis was exemplified as a powerful toolkit for creating fluorescent nanospheres directly from peptide building blocks, enabling facile incorporation of stimuli-responsiveness towards TME through de novo designed peptide sequences.
Photoactive benzothiadiazole-N-heterocycle derivatives: synthesis, photophysics and water sensing in organic solvents
Authors: Ebersol Camila P. , Debia Natali P. , Zimba Hamilton C. , Moraes Emmanuel S. , Lüdtke Diogo S. , Rodembusch Fabiano S. , Moro Angélica V.
Published: February 2024

The study reported herein describes the synthesis of benzothiadiazole (BTD)-N-heterocycle derivatives by metal-catalyzed cross-coupling reactions with relatively good yields.
A nickel-catalyzed carbon–sulfur cross-coupling reaction with disulfides enabled by mechanochemistry
Authors: Hao Xiujia , Feng Daming , Huang Peng , Guo Fang
Published: February 2024

A Ni-catalyzed C–S coupling has been proposed based on mechanochemistry. The mechanochemical synthesis of thioethers is realized with a wide range of disulfides and bromides. A multivalence Ni-catalytic cycle for C–S bond formation is proposed.
Surface termination dependent carbon dioxide reduction reaction on Ti3C2 MXene
Authors: Meng Ling , Yan Li-Kai , Viñes Francesc , Illas Francesc
Published: February 2024

Ti3C2Tx MXene with surface terminations mixing –O with –OH and/or –F groups are optimal for CO2 reduction according to density functional calculations on Pourbaix diagrams coherent surface models, highlighting the role of –OH groups as H sources.
Correction: Orthogonal anthracene and pyrene derivatives for efficient pure deep-blue organic light-emitting diodes
Authors: Jiang He , Li Hanlin , Jin Jibiao , Bodedla Govardhana Babu , Tao Peng , Ma Dongge , Wong Wai-Yeung
Published: February 2024

Correction for ‘Orthogonal anthracene and pyrene derivatives for efficient pure deep-blue organic light-emitting diodes’ by He Jiang et al., J. Mater. Chem. C, 2023, 11, 6438–6443, https://doi.org/10.1039/D3TC00594A.
The role of filamentous matrix molecules in shaping the architecture and emergent properties of bacterial biofilms
Authors: Böhning Jan , Tarafder Abul K. , Bharat Tanmay A.M.
Published: February 2024

Numerous bacteria naturally occur within spatially organised, multicellular communities called biofilms. Moreover, most bacterial infections proceed with biofilm formation, posing major challenges to human health. Within biofilms, bacterial cells are embedded in a primarily self-produced extracellular matrix, which is a defining feature of all biofilms. The biofilm matrix is a complex, viscous mixture primarily composed of polymeric substances such as polysaccharides, filamentous protein fibres, and extracellular DNA. The structured arrangement of the matrix bestows bacteria with beneficial emergent properties that are not displayed by planktonic cells, conferring protection against physical and chemical stresses, including antibiotic treatment. However, a lack of multi-scale information at the molecular level has prevented a better understanding of this matrix and its properties. Here, we review recent progress on the molecular characterisation of filamentous biofilm matrix components and their three-dimensional spatial organisation within biofilms.
Tetramethylpyrazine attenuates renal tubular epithelial cell ferroptosis in contrast-induced nephropathy by inhibiting transferrin receptor and intracellular reactive oxygen species
Authors: Zhu Zhongqiang , Li Jun , Song Zhiyong , Li Tonglu , Li Zongping , Gong Xuezhong
Published: February 2024

Contrast-induced nephropathy (CIN) is a leading cause of hospital-acquired acute kidney injury (AKI). Recently, ferroptosis was reported to be crucial for AKI pathogenesis. Our previous studies indicated antioxidant tetramethylpyrazine (TMP) prevent CIN in vivo. However, whether ferroptosis is involved in TMP nephroprotective mechanism against CIN is unclear. In the present study, we investigated the role of renal tubular epithelial cell ferroptosis in TMP reno-protective effect against CIN and the molecular mechanisms by which TMP regulates ferroptosis. Classical contrast-medium, Iohexol, was used to construct CIN models in rats and HK-2 cells. Results showed that tubular cell injury was accompanied by ferroptosis both in vivo and in vitro, including the typical features of ferroptosis, Fe2+ accumulation, lipid peroxidation and decreased glutathione peroxidase 4 (GPX4). Ferroptosis inhibition by classic inhibitors Fer-1 and DFO promoted cell viability and reduced intracellular ROS production. Additionally, TMP significantly inhibited renal dysfunction, reduced AKI biomarkers, prevented ROS production, inhibited renal Fe2+ accumulation and increased GPX4 expression. Expressions of various proteins associated with iron ion metabolism, including transferrin receptor (TFRC), divalent metal transporter 1, iron-responsive element binding protein 2, ferritin heavy chain 1, ferroportin 1, and heat shock factor binding protein 1, were examined using mechanistic analyses. Among these, TFRC changes were the most significant after TMP pretreatment. Results of siRNA knockdown and plasmid overexpression of TFRC indicated that TFRC is essential for TMP to alleviate ferroptosis and reduce LDH release, Fe2+ accumulation and intracellular ROS. Our findings provide crucial insights about the potential of TMP in treating AKI associated with ferroptosis.
Computational models as catalysts for investigating redoxin systems
Authors: Pillay Ché S. , Rohwer Johann M.
Published: February 2024

Thioredoxin, glutaredoxin and peroxiredoxin systems play central roles in redox regulation, signaling and metabolism in cells. In these systems, reducing equivalents from NAD(P)H are transferred by coupled thiol-disulfide exchange reactions to redoxins which then reduce a wide array of targets. However, the characterization of redoxin activity has been unclear, with redoxins regarded as enzymes in some studies and redox metabolites in others. Consequently, redoxin activities have been quantified by enzyme kinetic parameters in vitro, and redox potentials or redox ratios within cells. By analyzing all the reactions within these systems, computational models showed that many kinetic properties attributed to redoxins were due to system-level effects. Models of cellular redoxin networks have also been used to estimate intracellular hydrogen peroxide levels, analyze redox signaling and couple omic and kinetic data to understand the regulation of these networks in disease. Computational modeling has emerged as a powerful complementary tool to traditional redoxin enzyme kinetic and cellular assays that integrates data from a number of sources into a single quantitative framework to accelerate the analysis of redoxin systems.
Development of the Digital Speech Assessment Instrument
Authors: Uberti Letícia Bitencourt , Keske-Soares Marcia , Pagliarin Karina Carlesso
Published: February 2024

Objective:

This study aimed to develop a Digital Speech Assessment Instrument to evaluate the phonological and motor speech skills of Brazilian Portuguese–speaking children and adolescents through six tasks: (a) word naming, (b) word imitation, (c) pseudoword imitation, (d) word repetition, (e) pseudoword repetition, and (f) diadochokinesis.

Method:

The assessment instrument was developed and validated in a seven-step process, beginning with stimulus selection and ending with Pilot Study 1 (involving children and adolescents with typical speech development) and Pilot Study 2 (involving children and adolescents with speech sound disorders [SSDs]). Participants of the study included expert and nonexpert judges, children, and adolescents.

Results:

The Digital Speech Assessment Instrument contains 91 real words (61 in the naming task, 51 in the imitation task, and five in the repetition task), 26 pseudowords (26 in the imitation task and four in the repetition task), and six stimuli for diadochokinesis. The test contains stimuli in the form of images as well as audio and video recordings and allows for the analysis and storage of participant data in a virtual database.

Conclusions:

This study described the development of the Digital Speech Assessment Instrument, available in Brazilian Portuguese for the evaluation of several aspects of speech production (including word and pseudoword naming, imitation, and repetition and diadochokinesis). The test was developed for children aged 2;0 (years;months) to 17;11 and is administered fully online. In the future, the instrument can be used to provide a timely and accurate diagnosis of SSDs.
Quantification of finger grasps during activities of daily life using convolutional neural networks: A pilot study
Authors: Trejo Ramírez Manuela Paulina , Thornton Callum John , Evans Neil Darren , Chappell Michael John
Published: February 2024

Quantifying finger kinematics can improve the authors’ understanding of finger function and facilitate the design of efficient prosthetic devices while also identifying movement disorders and assessing the impact of rehabilitation interventions. Here, the authors present a study that quantifies grasps depicted in taxonomies during selected Activities of Daily Living (ADL). A single participant held a series of standard objects using specific grasps which were used to train Convolutional Neural Networks (CNN) for each of the four fingers individually. The experiment also recorded hand manipulation of objects during ADL. Each set of ADL finger kinematic data was tested using the trained CNN, which identified and quantified the grasps required to accomplish each task. Certain grasps appeared more often depending on the finger studied, meaning that even though there are physiological interdependencies, fingers have a certain degree of autonomy in performing dexterity tasks. The identified and most frequent grasps agreed with the previously reported findings, but also highlighted that an individual might have specific dexterity needs which may vary with profession and age. The proposed method can be used to identify and quantify key grasps for finger/hand prostheses, to provide a more efficient solution that is practical in their day‐to‐day tasks.
Global Hopf Bifurcation Of a Delayed Diffusive Gause-Type Predator-Prey System with the Fear Effect and Holling Type III Functional Response
Authors: Zhang Qian , Liu Ming , Xu Xiaofeng
Published: February 2024

In this paper, a delayed diffusive predator-prey system with the fear effect and Holling type III functional response is considered, and Neumann boundary condition is imposed on this system. First, we explore the stability of the unique positive constant steady state and the existence of local Hopf bifurcation. Then the global attraction domain G* of system (1.4) is obtained by the comparison principle and the iterative method. Through constructing the Lyapunov function, we investigate uniform boundedness of periodic solutions' periods. Finally, we prove the global continuation of periodic solutions by the global Hopf bifurcation theorem of Wu. Moreover, some numerical simulations that support the analysis results are given.
Praktische Anwendung des Energiedichteprinzips von Lebensmitteln
Authors: Mack Isabelle
Published: February 2024

Die Aufrechterhaltung des Körpergewichts hängt vom Gleichgewicht zwischen Energieaufnahme und -verbrauch ab. Forschungsdaten zeigen, dass für eine erfolgreiche Gewichtsreduktion und -stabilisierung vor allem die Reduktion der Energieaufnahme entscheidend ist.
„Training braucht Chaos“ – Interview mit
Prof. Dr. Jeremy Lewis
Authors: Lewis Jeremy , Klien Sebastian , Löscher Sebastian
Published: February 2024

Prof. Dr. Jeremy Lewis sieht seine Rolle in der Physiotherapie nicht mehr darin,
Probleme zu „reparieren". Vielmehr möchte er Menschen
darin unterstützen, geliebte Aktivitäten wieder
bestmöglich auszuführen. Damit einher geht auch seine
Auffassung, dass Training chaotisch sein sollte. Außerdem faszinieren
ihn die Möglichkeiten der Virtual Reality in der Physiotherapie, unter
anderem als Werkzeug für „Symptom Modification“.
Prediction Of Palmaris Longus Tendon Length And Thickness Through
Simple Anthropometric Measurements
Authors: Kilic Koray Kaya , Kose Ozkan , Egerci Omer Faruk , Dogruoz Firat , Aykanat Faruk
Published: February 2024

Objective This study aimed to test whether palmaris longus tendon (PLT)
length and thickness can be predicted from simple anthropometric
measurements.

Materials and methods 120 healthy volunteers with bilateral PL muscles
were enrolled in this prospective study. PLT length and thickness were measured
by ultrasonographic examination. Anthropometric measurements included body
height, weight, forearm length, and wrist circumference. Correlation, linear
regression, and Bland-Altman plot were used for analysis.

Results The mean PLT length and thickness were 10.8±1.4 cm and
4.0±0.9 mm, respectively. Body height and PLT length had a moderate
positive correlation (r:0.407, p:0.001), and forearm length and PLT thickness
had a weak positive correlation (r:0.229, p:0.001). The regression analysis
showed that body height was the best predictor for PLT length, and forearm
length was the best predictor for PLT thickness. The regression equations were
as follows: PLT length=0.276+(0.062×height)
(r2=0.165, p<0.001) and PLT
thickness=1.373+(0.108×forearm length)
(r2=0.052, p<0.001). The predicted PLT lengths and thicknesses
were calculated using these regression formulas and compared with the actual
thicknesses and lengths using the Bland-Altman plot. The upper and lower limits
of agreement (95% CI) ranged from -2.54 cm to 2.51 cm for actual PLT
length and predicted PLT length and from -1.76 mm to 1.74 mm for actual PLT
thickness and predicted PLT thickness in the Bland-Altman plot with a weak
agreement and proportional bias.

Conclusions These findings indicate that height and forearm length have
limited accuracy in predicting PLT length and thickness. The preoperative
ultrasonographic examination can provide valuable assistance, particularly in
cases that require grafts with precise length and thickness requirements.
Resektionen der Trachealbifurkation
Authors: Lopez-Pastorini Alberto , Stoelben Erich
Published: February 2024

Die Bifurkationsresektion wird in der Literatur übereinstimmend als einer der anspruchsvollsten thoraxchirurgischen Eingriffe beschrieben. Unter diesem Begriff werden verschiedene Eingriffe zusammengefasst, die abhängig von der zugrunde liegenden Erkrankung und ihrer Ausdehnung unterschiedliche Resektionsformen und Rekonstruktionstechniken erfordern. Aus chirurgischer Sicht sind vor allem die engen anatomischen Verhältnisse und die Technik der Rekonstruktion der zentralen Atemwege herausfordernd. Ein komplexes Atemwegsmanagement und eine aufwendige postoperative Nachsorge zeigen jedoch, dass diese Eingriffe über die chirurgische Expertise hinaus, die Leistung eines multidisziplinären Teams darstellen. Dieser Artikel widmet sich den wichtigsten prä-, intra- und postoperativen Aspekten dieser Eingriffe.
Wann funktioniert StäB (nicht)? Eine qualitative,
multiperspektivische Erhebung zu Faktoren, die den Erfolg einer
stationsäquivalenten Behandlung (StäB) beeinträchtigen
können
Authors: Lang Anne , Klocke Luisa , Menzel Susanne , Ketisch Eva , Brieger Peter , Hamann Johannes
Published: February 2024

Ziel der Studie Es gibt immer wieder Fälle, in denen es zu
Abbrüchen einer bereits begonnen stationsäquivalenten Behandlung
kommt. Ziel der Untersuchung war es, ein besseres Verständnis
für die Ursachen von Abbrüchen einer bereits begonnen
stationsäquivalenten Behandlung zu erlangen.

Methoden Es wurden insgesamt 17 qualitative Interviews mit Patienten,
Angehörigen und Behandlern geführt. Die Datenanalyse erfolgte
mittels qualitativer Inhaltsanalyse.

Ergebnisse Unsere Daten zeigen, dass es neben den formalen
Ausschlusskriterien für eine StäB weitere Einflussfaktoren gibt,
die eine stationsäquivalente Behandlung erschweren, verhindern oder zu
einem Abbruch führen.

Schlussfolgerungen Eine StäB ermöglicht vielen Patienten
eine intensive Behandlung im eigenen zuhause. Dennoch ergeben sich
unterschiedliche Konstellationen, die eine stationsäquivalente
Behandlung erschweren oder verhindern können.
Evidence-Based Dynamics in Rhinoplasty
Authors: Frautschi Russell , DeLeonibus Anthony , Totonchi Ali , Guyuron Bahman
Published: February 2024

Rhinoplasty is a delicate surgical procedure that requires a thorough understanding of the dynamic interplay between the various structures of the nose. Any changes made to one part of the nose can have downstream effects on the overall harmony and appearance of the nose. For this reason, it is crucial for surgeons to be aware of these potential impacts in order to achieve predictable and aesthetically pleasing results. In this article, we aim to provide a summary of the current evidence-based conclusions on the dynamic influence of the radix, dorsum, tip, and ala during rhinoplasty. By understanding the complex relationships between these structures, surgeons can make informed decisions and achieve the best possible outcomes for their patients.
Catalytic Asymmetric Synthesis of α-Mono and α,α-Disubstituted 5- and 6-Membered α-Aza-lactams
Authors: Landa Aitor , Oiarbide Mikel , Palomo Claudio
Published: February 2024

Five- and six-membered cyclic amide structures with an embedded endocyclic α-aza group (α-aza-lactams) not only represent masked or protected forms of α-amino acids, but also form the core of other medicinally relevant compound families such as (thio)hydantoins and di(tri)ketopiperazines. In recent years, catalytic methods have been discovered to synthesize these molecular scaffolds, particularly those bearing an α-stereogenic tri- or tetrasubstituted carbon center, enantioselectively. The wide variety of methods and catalytic activation strategies that have been successfully applied to this end in a short period of years is notable. This short review covers the most significant, highlighting their differences and complementarities. The methods are organized according to the disconnection approach to the target α-aza-lactam structure, which in most cases is deeply bound to the type of catalysis applied.

1 Introduction

2 Catalyst-Controlled Cα–H Functionalization (Approach a)

3 Decarboxylative α-AAA Reactions (Approach b)

4 Cα–X Substitution Reactions (Approach c)

5 De Novo Synthesis from Acyclic Precursors (Approach d)

6 Hydrogenation of (Addition to) α-Alkyliden-α-aza-lactams (Approach e)

7 Kinetic Resolution and Deracemization (Approach f)

8 Conclusions
Associations between Sleep Quality and Serum Levels of Neurofilament Light in Individuals with Premanifest Huntington Disease
Authors: Turner Mitchell , Bartlett Danielle , Poudel Govinda , Zaenker Pauline , Laws Simon , Lo Johnny , Ziman Mel , Cruickshank Travis
Published: February 2024

Objectives To evaluate the associations between sleep quality and serum levels of neurofilament light (NfL) protein in individuals with premanifest Huntington disease (HD).

Materials and Methods We recruited 28 individuals with premanifest HD from a pre-existing database (of the Huntington's Environmental Research Optimisation Scheme, HEROs). The participants filled out the Pittsburgh Sleep Quality Index (PSQI), a subjective measure of sleep quality, and blood was collected via routine venepuncture to measure peripheral NfL levels.

Results The PSQI scores (median: 5.0; interquartile range: 4.0–7.5) indicated poor sleep quality. General linear modelling revealed no significant (p = 0.242) association between PSQI scores and NfL levels. No significant differences were found between individuals with good and poor sleep quality for any demographic variable collected.

Discussion Contrary to studies on other neurological conditions, there was no association between sleep quality and NfL levels in individuals with premanifest HD. This was unexpected, given the influence of environmental factors (such as social network size) on neurodegeneration in individuals with premanifest HD.
SFM Fetal Therapy Practice Guidelines: Fetal Reduction
Authors: Gupta Sangeeta
Published: February 2024

The indications of fetal reduction can be multifetal reduction (MFR) or selective fetal reduction. In MFR, the objective is to reduce the number of fetuses, whereas in selective fetal reduction the abnormal fetus is targeted for reduction. Reduction in the monochorionic twin pairs resulted in the most favorable pregnancy outcome among triplets and should be recommended whenever fetal reduction is an option. Selective termination by potassium chloride injection is contraindicated with monochorionic gestations because death of the unaffected twin occurs in 80 to 100% of cases. The standard operating procedures discuss various aspects of fetal reduction in detail like indications, consent, procedural details, risks and complications, and follow-up. It also gives a report template that can be used in your clinical practice.