bluuebunny/crossref_metadata_2025 huggingface dataset:
Psychosocial markers of pre‐hospital delay in patients with diabetic foot: A cross‐sectional survey
Authors: Xu Huiwen , Wu Chen , Xiang Shengxiao , Qiu Shuang , Chen Yan , Takashi En , Yanagihara Kiyoko , Xie Ping
Published: January 2024

Aim

This study aimed to determine the psychosocial markers associated with pre‐hospital delay among patients with diabetic foot (DF).

Design

This study has a cross‐sectional design.

Methods

The participants completed a questionnaire including pre‐hospital time, demographic characteristics, Social Support Rate Scale, Brief Illness Perception Questionnaire and Type D Personality Scale‐14. Bivariate and multivariate analyses were conducted to explore independent associations with pre‐hospital delay.

Results

Only 1.8% (3/164) of participants arrived at the hospital for medical care in 24 h of symptom onset. Patients with low utilization of social support (p = 0.029), low negative illness perceptions (p = 0.014) and high levels of negative affectivity (p = 0.009) are likely to arrive late at the clinic. Medical staff should pay attention to identifying diabetic patients' Type D personalities and take actions to improve their social support as well as illness perception, so as to reduce the occurrence of hospital delay.

Implications for the Profession and/or Patient Care

Psychosocial factors play a vital role in the delay in seeking medical treatment for patients with DF. Medical staff need to improve patients' illness perception as well as self‐management ability through health education. Importantly, key family members provide an emotional and psychological support system for diabetic patients. Therefore, nurses need to work with family members together to give information and psychological support during family visits. Additionally, building and maintaining trust with patients is crucial to encouraging individuals to express their concerns and worries. In this case, nurses may identify patients' negative emotions and conduct timely intervention, so as to achieve favourable outcomes.

Patient or Public Contribution

This study used a convenience sample of 164 participants with DF recruited from the wound clinic of Northern Jiangsu People's Hospital and Yangzhou Hospital of TCM in China.
Racial Disparities in Head and Neck Cancer: It's Not Just About Access
Authors: Whitehead Russell A. , Patel Evan A. , Liu Jeffrey C. , Bhayani Mihir K.
Published: January 2024

Objective

Medical literature identifies stark racial disparities in head and neck cancer (HNC) in the United States, primarily between non‐Hispanic white (NHW) and non‐Hispanic black (NHB) populations. The etiology of this disparity is often attributed to inequitable access to health care and socioeconomic status (SES). However, other contributors have been reported. We performed a systematic review to better understand the multifactorial landscape driving racial disparities in HNC.

Data Sources

A systematic review was conducted in Covidence following Preferred Reporting Items for Systematic Reviews and Meta‐analyses Guidelines. A search of PubMed, SCOPUS, and CINAHL for literature published through November 2022 evaluating racial disparities in HNC identified 2309 publications.

Review Methods

Full texts were screened by 2 authors independently, and inconsistencies were resolved by consensus. Three hundred forty publications were ultimately selected and categorized into themes including disparities in access/SES, treatment, lifestyle, and biology. Racial groups examined included NHB and NHW patients but also included Hispanic, Native American, and Asian/Pacific Islander patients to a lesser extent.

Results

Of the 340 articles, 192 focused on themes of access/SES, including access to high‐quality hospitals, insurance coverage, and transportation contributing to disparate HNC outcomes. Additional themes discussed in 148 articles included incongruities in surgical recommendations, tobacco/alcohol use, human papillomavirus‐associated malignancies, and race‐informed silencing of tumor suppressor genes.

Conclusion

Differential access to care plays a significant role in racial disparities in HNC, disproportionately affecting NHB populations. However, there are other significant themes driving racial disparities. Future studies should focus on providing equitable access to care while also addressing these additional sources of disparities in HNC.
Shape memory polylactic acid/modified Eucommia ulmoides gum thermoplastic vulcanizates based on excellent interfacial adhesion and co‐continuous structure
Authors: Wang Yan , Pei Xianqiang , Pei Qianyao , Zhang Zhancheng , Zhang Yaoming , Wang Qihua , Wang Tingmei
Published: January 2024

Towards the goal of developing renewable, biocompatible and intelligent polymer materials, natural Eucommia ulmoides gum (EUG) was modified via epoxidation and then the epoxidized EUG (EEUG) was compounded with another sustainable and biobased polymer, polylactic acid (PLA), to develop shape memory thermoplastic vulcanizates (TPVs) through reactive blending. The prepared PLA/EEUG TPVs displayed not only enhanced toughness but also greatly improved shape recovery ability, which was generated from the co‐continuous phase structure and excellent interfacial adhesion induced by in situ compatibilization during reactive blending. It is shown that dicumyl peroxide content exerted little influence on the toughness of the TPVs. However, heat‐triggered shape memory effects of the TPVs were significantly affected by the dicumyl peroxide content with a decrease in deformation ratio (Δε) from 163.51% to 128.36% and an increase in shape recovery ratio (Rr) from 73.32% to 91.93%. The findings of the present study offer an idea for the industrialization of biocompatible and smart materials for biomedical applications. © 2024 Society of Industrial Chemistry.
Energy, water, and protein folding: A molecular dynamics‐based quantitative inventory of molecular interactions and forces that make proteins stable
Authors: Galano‐Frutos Juan José , Sancho Javier
Published: January 2024

Protein folding energetics can be determined experimentally on a case‐by‐case basis but it is not understood in sufficient detail to provide deep control in protein design. The fundamentals of protein stability have been outlined by calorimetry, protein engineering, and biophysical modeling, but these approaches still face great difficulty in elucidating the specific contributions of the intervening molecules and physical interactions. Recently, we have shown that the enthalpy and heat capacity changes associated to the protein folding reaction can be calculated within experimental error using molecular dynamics simulations of native protein structures and their corresponding unfolded ensembles. Analyzing in depth molecular dynamics simulations of four model proteins (CI2, barnase, SNase, and apoflavodoxin), we dissect here the energy contributions to ΔH (a key component of protein stability) made by the molecular players (polypeptide and solvent molecules) and physical interactions (electrostatic, van der Waals, and bonded) involved. Although the proteins analyzed differ in length, isoelectric point and fold class, their folding energetics is governed by the same quantitative pattern. Relative to the unfolded ensemble, the native conformations are enthalpically stabilized by comparable contributions from protein–protein and solvent–solvent interactions, and almost equally destabilized by interactions between protein and solvent molecules. The native protein surface seems to interact better with water than the unfolded one, but this is outweighed by the unfolded surface being larger. From the perspective of physical interactions, the native conformations are stabilized by van de Waals and Coulomb interactions and destabilized by conformational strain arising from bonded interactions. Also common to the four proteins, the sign of the heat capacity change is set by interactions between protein and solvent molecules or, from the alternative perspective, by Coulomb interactions.
Room‐Temperature Continuous Wave Lasing of Circular Defect in 2D Photonic Crystal (CirD) Laser with AlOx Cladding Layers Fabricated by One‐Step Dry Etching
Authors: Zuo Rubing , Kinoshita Ryosei , Ye Hanqiao , Kajii Hirotake , Maruta Akihiro , Kondow Masahiko
Published: January 2024

The use of photonic crystal (PhC) to form photonic bandgaps is expected to be applied to optical communications, and various studies have been conducted on this technology. In a previous study, the current‐injected Circular Defect (CirD) in 2D PhC laser is proposed. At that time, the dry‐etching process involves three steps. However, three‐step dry etching cannot be used to simultaneously form drainage trench and PhC air holes. In this study, a one‐step dry‐etching process for CirD lasers is conducted. Optical measurements are performed on the successfully fabricated samples. As a result, the first lasing of a CirD laser with a contact layer and an upper cladding layer fabricated with a one‐step dry etching is confirmed.
Modeling analysis and experiment for energy system of ocean energy driven unmanned marine vehicle: The Yulang II case study
Authors: Jia Qi , Liao Yulei , Xu Peihong , Pang Shuo , Wang Bo , Li Ye
Published: January 2024

It is critical to master a marine robot's energy system characteristics adequately to ensure that the robot can perform long‐endurance tasks in complex and ever‐changing marine environments. This paper presents, for the first time, an energy system modeling and analysis method for a marine robot driven by wind, solar, and wave composite energy, using Yulang II as an example. First, an onshore experiment method was designed, and then the conversion experiment of wind, sunlight, and electrical energy was carried out based on that experiment method. At the same time, based on computational fluid dynamics technology, a resistance pole curve considering wave energy capture is constructed. In addition, the attitude, relative motion, and battery constraints of the robot in the ocean are analyzed to construct the energy system model of Yulang II. Finally, the method and model proposed in this paper were compared and verified by simulation and field tests. The results indicated that the corrected forecast deviation was 5.71% in the typical marine environment of the experiment, which supported the study of ocean energy‐driven unmanned marine vehicles strongly.
A high‐resolution inter‐annual framework for exploring hydrological drivers of large wood dynamics
Authors: Hortobágyi Borbála , Petit Stéphane , Marteau Baptiste , Melun Gabriel , Piégay Hervé
Published: January 2024

Rivers with alluvial bars store more wood than those without, supplied through channel shifting. However, wood dynamics (arrival or new deposits, departure or entrainment, and stable or immobile pieces) can vary substantially over time in response to critical hydrological drivers that are largely unknown. To evaluate them, we studied the dynamics of large wood pieces and logjams along a 12‐km reach of the lower Allier River using six series of aerial images of variable resolution acquired between 2009 and 2020, during which maximum river discharge fluctuated around the dominant flood discharge (Q1.5) that is potentially the bankfull discharge along this well‐preserved not incised reach. Individual wood departure was best correlated with water levels exceeding dominant flood discharge. The duration of the highest magnitude flood was best correlated with wood depositions, with shorter floods resulting in a higher number of deposits. Finally, most of the wood remained stable when river discharge did not exceed 60% of Q1.5 over a long period of time. Changes in inter‐annual wood budget (reach‐scale) depend on the duration over which discharge exceeded 60% of Q1.5. Hydrological conditions driving jam build‐up and removal were similar to those controlling individual wood piece dynamics. The results suggest that specific hydrological conditions influence the dynamics of large wood and log jams in the Allier River. Understanding the dynamics of large wood and its impact on river morphology is fundamental for successful river management and habitat restoration initiatives.
Multiple imputation strategies for missing event times in a multi‐state model analysis
Authors: Curnow Elinor , Hughes Rachael A. , Birnie Kate , Tilling Kate , Crowther Michael J.
Published: January 2024

In clinical studies, multi‐state model (MSM) analysis is often used to describe the sequence of events that patients experience, enabling better understanding of disease progression. A complicating factor in many MSM studies is that the exact event times may not be known. Motivated by a real dataset of patients who received stem cell transplants, we considered the setting in which some event times were exactly observed and some were missing. In our setting, there was little information about the time intervals in which the missing event times occurred and missingness depended on the event type, given the analysis model covariates. These additional challenges limited the usefulness of some missing data methods (maximum likelihood, complete case analysis, and inverse probability weighting). We show that multiple imputation (MI) of event times can perform well in this setting. MI is a flexible method that can be used with any complete data analysis model. Through an extensive simulation study, we show that MI by predictive mean matching (PMM), in which sampling is from a set of observed times without reliance on a specific parametric distribution, has little bias when event times are missing at random, conditional on the observed data. Applying PMM separately for each sub‐group of patients with a different pathway through the MSM tends to further reduce bias and improve precision. We recommend MI using PMM methods when performing MSM analysis with Markov models and partially observed event times.
Enhanced Cu(II) Adsorption Capacity of Recyclable Activated Carbon Fibers for Flexible Self‐Supporting Electrodes in Capacitive Deionization
Authors: Junwei Yu , Chen Feifei , Ma Jinping , Lin Tianhao , Chi Chong , Lu Yi , Yan Shuhan , Bao Wenzhe , Zhao Xian , Zhu Bo
Published: January 2024

As the cardinal part of capacitive deionization apparatus, the performance of electrode directly determines the capacitive deionization's adsorption rate, adsorption capacity and selectivity. However, the adsorptivity and reusability of electrode material for special adsorbate need to be developed urgently for the application of capacitive deionization in wastewater purification. In this research, we successfully enhanced the Cu(II) adsorptivity of activated carbon fiber felt (ACFF) to 23 mg/g (4.47 times of ACFF0) by the sonication‐assisted chemical reactivation process with the solution of 20 wt % NaOH used as activator (ACFF‐N20). As ACFF‐N20 used as cathode, the Cu(II) electro‐adsorptivity of ACFF‐N20 under a current of 0.15 A is 84 mg/g for 130 mg/L Cu(II) standard working fluid. For the Cu(II) wastewater with a concentration of 50 mg/L, it can be purified to 0.14 mg/L by one step of capacitive deionization, which below the drinking standard of World Health Organization. By the technology of low‐temperature pickling regeneration, the regeneration rates of ACFF‐N20 are 102 %–106 % for five recycling times of Cu(II) electrosorption process. Based on fitting analysis of adsorption processes using different kinetic models, it was found that Langmuir model is more convergent than Freundlich model to the adsorption isotherms. Additionally, Bangham adsorption kinetic model and pseudo‐first order adsorption kinetic model have the best fitting correlation for the Cu(II) static adsorption and electrosorption of ACFFs.
Kinetic study of pyrolysis of waste polystyrene and polyethylene mixture using novel non‐isothermal method
Authors: Ali Ghulam
Published: January 2024

A tremendous increase in municipal plastic waste is observed due to high consumption of polymers. With the passage of time the available landfills for discarding of waste plastics decrease whereas, appropriate recycling methods for waste plastics gaining more and more importance. In the present work thermal decomposition of polystyrene (PS) and polyethylene (PE) waste mixture was carried out at different heating rates (5, 10, 15 and 20 °C/min) in a thermogravimetric analyzer (TGA). Thermogravimetric data obtained was further interpreted using new developed non‐isothermal integral method and compared it with several kinetic models i. e., Coats Redfern (CR), Ozawa Flynn Wall (OFW), Kissinger‐Akahira‐Sunose (KAS), Achar and Criado‐Dollimore (CD). The activation energy (Ea) calculated using CR, OFW, KAS, Achar and CD models were found to be in the range of 92.7–130.6, 85.3–120.1, 82.1–113.2, 114.8–162.1 and 95.4–134.4 kJmol−1 respectively, whereas Ea determined by using new developed non‐isothermal method was found to be in the range 70.9 to 106.3 kJmol−1.By comparison the activation energies, it has been concluded that new integral method gave the sharp range and consistent value with highest correlation coefficient, indicating that new developed non‐isothermal method is most suitable for determination of kinetic parameters. The kinetic parameters seem to be very helpful in investigating the reaction mechanism of the solid‐state reactions in real system and will give an opportunity to develop the mechanism of the decomposition reaction.
Experimental and DFT Investigation of 6‐arylated‐pyridin‐3‐yl methanol Derivatives
Authors: Ahmed Adnan , Adeel Muhammad , Niaz Shanawer , Raouf Abdul , Aiman Ume , Abdullah Bin Shaffiq Muhammad , Ramay Shahid M. , Mushtaq Irfan
Published: January 2024

An investigation based on synthesis of 6‐arylated‐pyridine‐3‐yl)methanol derivatives: 6‐(2‐benzofuranyl)pyridin‐3‐yl)methanol (BFPM), (6‐([biphenyl]‐4‐yl)3‐pyridinyl methanol (BPPM), 6‐(3‐Flourophenyl)‐4‐pyridine‐methanol (FPPM), and 6‐(4‐Chlorophenyl)‐4‐pyridine‐methanol (CPPM) compounds is presented in this study. Furthermore, a comparison of experimental spectroscopic data (NMR, FTIR, UV‐Vis), structural factors, nonlinear optical characteristics with theoretical frontier molecular orbital analysis, natural population analysis, natural bond orbitals analysis of pyridine derivatives is drawn using density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) at the B3LYP/6‐311+G (2d,p) level of theory was used. Therefore, the DFT‐based findings and experimental data were in perfect accord. By using NBO analysis, it has been possible to understand how charge delocalization and HP interactions contribute to molecule stability. Moreover, the FMO energy levels were used to calculate global reaction characteristics, which showed that FPPM with the highest ▵ELUMO – HOMO of 4.91 eV, was less reactive and more stable than BFPM, BPPM, and CPPM. Compared to the prototype compound, NLO studies revealed that BFPM, BPPM, FPPM, and FPPM exhibit better characteristics, revealing their potential for use in photoelectric technology.
Redox Chemistry of “Neglected Copper‐Tris” Complex in Presence of Ascorbic Acid and O2
Authors: Bag Jayanta , Das Surajit , Maity Suvendu , Ghosh Prasanta , Maiti Biplab K. , Pal Kuntal
Published: January 2024

Sometimes unusual redox chemistry and modulation of enzyme activity Cu‐proteins can be encountered by the presence of a trace amount of Cu−Tris interaction (Tris‐(hydroxymethyl) aminomethane) during vitro studies. Herein, we addressed a redox chemistry of CuII−Tris with variable stoichiometric ratios in the presence of ascorbic acid (H2A) and O2. The redox chemistry of Bs3 (Cu : Tris; 1 : 3) with H2A/O2 was passed through several intermediates with progress on time yielding initially yellow precipitate, (Yp3), then green solution, (Gs3) and finally cyan solution (Cs3). The UV‐Vis spectra of Bs3, Gs3 and Cs3 displayed peaks at 640, 690 and 710 nm respectively suggesting CuII. The redox potential of CuII/CuI in Bs3, Gs3 and Cs3 were −0.18 V, −0.15 V and −0.19 V (vs. Ag/AgCl) respectively. The EPR spectrum of Bs3 showed an axial signal with g∥,⊥=2.483/2.105&A∥=160×10−4 cm−1 whereas Gs3 and Cs3 showed rhombic signal with g1,2,3=2.302/2.063/2.018&A∥=177×10−4 cm−1 and g1,2,3=2.274/2.064/2.016&A∥=164×10−4 cm−1 respectively suggesting a distorted tetragonal geometry. ESI−MS data indicated the probable composition of Bs2‐Bs5, Gs3 and Cs3 in solution. Integration of all spectroscopies data demonstrated the probable composition and redox mechanism.
[Cell@Al2O3(HEPiPY)]DCA: A Cellulose Supported Ionic Liquid Catalyst for Synthesis of 11 b,12‐dihydro‐6H,13Hbenzo[5,6][1,3]oxazino[3,4‐a]quinazoline‐6,13‐dione along with in silico assessments
Authors: Shinde Vikas B. , Mhaldar Pradeep M. , Patil Mayuri V. , Mirzaei Mahmoud , Pore Dattaprasad M.
Published: January 2024

In present study we have designed and synthesized novel cellulose supported ionic liquid catalyst (CSILC), [Cell@Al2O3(HEPiPY)]DCA and explored its catalytic efficiency for synthesis of novel 11b,12‐dihydro‐6H,13Hbenzo[5,6][1,3]oxazino[3,4‐a]quinazoline‐6,13‐diones by performing the one pot reaction of 2‐(2‐hydroxyaryl)‐2,3‐ dihydroquinazolin‐4(1H)‐one and 1,1‐carbonyl diimidazole (CDI). The catalyst was characterized by diverse analytical techniques viz. Fourier‐Transform Infrared Spectroscopy (FT‐IR), Scanning Electron Microscopy (SEM), Energy Dispersive X‐ray Analysis (EDX) and Thermo Gravimetric Analysis (TGA). The biological activities of synthesized novel derivatives were evaluated along with in silico assessments against the vascular endothelial growth factor receptor‐2 (VEGFR‐2) target, in which the results were considerable. The catalyst exhibited remarkable reusability up to six consecutive runs without considerable loss in the catalytic activity.
Facile Synthesis of Pyrazolopyranopyrimidines by Synergism of Ultrasound Irradiation and Biocompatible Inulin Biopolymer as Catalyst
Authors: Jain Shruti , Jain Shubha
Published: January 2024

Inulin, a natural polysaccharide has been utilized as a novel biodegradable, efficient, and environmentally benign catalyst for the ultrasound‐assisted one‐pot, single‐step multicomponent formation of a library of pyrazolopyrano[2,3‐d]pyrimidine‐diones 5(a‐k) from the reaction of ethyl acetoacetate, hydrazine hydrate, aromatic aldehydes, and barbituric/ thiobarbituric acid in aqueous ethanol (1 : 1) at 50 °C. This facile methodology offers a metal‐free, sustainable, selective synthesis of pyrazolopyrano[2,3‐d]pyrimidine‐diones with no by‐product having excellent product yield (≥90 %) in a shorter reaction time. Additionally, the biocompatible inulin is recyclable for up to five consecutive runs without much decrease in its catalytic potential. Inulin has been characterized by spectral techniques such as XRD, FTIR, Raman, and SEM. It shows remarkable stability in the reaction medium as evident from the zeta potential value of −21.39 mV and hydrodynamic diameter of 459.5 nm. Novel pyrazolopyrano[2,3‐d]pyrimidine‐diones (5g, 5h, 5j, and 5k) were also synthesized using this protocol and the synthesized compounds were examined for their antimicrobial activity.
In Silico Evaluation of 1‐Aminoisoquinoline Derivatives against Dengue Virus: Greener Access via a Sonochemical Method
Authors: Prasada Rao Daliparthi Eswara , Bhuvan Tej Mandava , Raju Medepalli David , Kumar Reddy Nallamaddi Ravi , Bhagya Tej Mandava , Rajendiran Chinnapillai , Rao Vasireddy Purna Chandra , Kapavarapu Ravikumar , Pal Parthajit , Basaveswara Rao Mandava V. , Pal Manojit
Published: January 2024

The reported antiviral properties of isoquinolines including that of berberine against dengue virus prompted us exploring a series of 1‐aminoisoquinoline derivatives against RdRp and MTase domain of NS5 protein of dengue virus (DENV) in silico. While MTase is known to assists in viral RNA capping, the RdRp plays a key role in the virus replication. The docking of 1‐aminoisoquinolines into the DENV NS5 protein RdRp domain (PDB: 5I3Q) in silico revealed good interactions of one molecule involving the H‐bond interactions through its NO2 group with GLN802, LEU511 and HIS512 residues. Notably, the docking of these compounds into the DENV NS5 protein DENV3 MTase (PDB: 5EHG) in silico also indicated same molecule as the most encouraging potential entity as the molecule participated in three H‐bond interactions through its NO2 group with GLY86, TRP87, SER56 residues. The synthesis of 1‐aminoisoquinolines was undertaken under sonochemical conditions via the reaction of 1‐chloroisoquinoline with appropriate amines in the presence of Cs2CO3 in DMSO. Among them, three encouraging compounds did not cause any significant cytotoxicity towards Vero cells but showed good to moderate inhibition of DENV2.
Synthesis, Characterization, in silico DFT, Molecular docking, ADMET Profiling Studies and Toxicity Predictions of Ag(I) Complex Derived from 4‐Aminoacetophenone
Authors: Kyhoiesh Hussein Ali Kadhim , Hassan Haider M.
Published: January 2024

The reaction of the synthesized (E)‐1‐(4‐((2,4‐dihydroxy‐6‐methylphenyl)diazenyl)phenyl)ethan‐1‐one, (DMPDE) ligand with Ag(I) ion at room temperature resulted in the formation of the complex; [Ag(DMPDE)(H2O)2]. 1H NMR, 13C NMR, FTIR, UV‐Vis, mass spectra, elemental analyses, thermal analysis (TGA/DTA), and molar conductance measurements were done to elucidate the structure of synthetic compounds. The results revealed an interesting geometrical variation; tetrahedral for Ag(I) complex. FT‐IR spectra demonstrated that the ligand (DMPDE) under investigation behaves as a bidentate ligand (N,O) through the nitrogen atom of the azo group which is the farthest of the acetophenone moiety and oxygen phenolic for benzene moiety and forms a stable five‐membered chelating ring. The electronic structure, molecular electrostatic potential (MEP) and quantum chemical calculations of the newly synthesized compounds are investigated theoretically at the DFT/B3LYP level of theory. Additionally, the ligand (DMPDE) and Ag(I) complex were screened against the growth of pathogenic bacteria [Actinomycosis (G+), E. Escherichia Coli (G−)] and fungi (Penicillium spp.) compared with the reference antibiotics, Chloramphenicol and Nystatin. Furthermore, 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) was used to evaluate the antioxidant activities of the ligand and its complex, which showed they both possess significant antioxidant properties in comparison with L‐ascorbic acid (Vit. C) as standard. Based on docking studies, (DMPDE) and Ag(I) complex demonstrated a greater affinity for (PDB ID: 3T88), which corresponds to Escherichia coli protein (−6.7818 kcal/mol) and (−6.7928 kcal/mol), respectively. Interestingly, the most active Ag(I) complex inside the active site of cervical cancer receptor (PDB ID: 4XR8) demonstrated a higher binding energy (−6.2631 kcal/mol) than free ligand (−5.8561 kcal/mol). In silico, ADMET displayed that compounds obey the Lipinski rule and the “Veber's rule. Consequently, is likely to exhibit oral bioavailability with good LD50 and a safety profile that includes non‐cytotoxicity, non‐immunotoxicity, and non‐skin sensitization. Finally, the compounds synthesized showed significant anticancer activity in human cervical cancer cell lines HeLa and SiHa compared with positive controls (cisplatin) and normal human hepatic cells (WRL‐68). In the present study, all tested cancer cell lines showed promising activity against Ag(I) complex, whose IC50 value ranged from (61.02 to 71.09) μg/mL.
The effect of mindfulness‐based interventions on biomarkers in cancer patients and survivors: A systematic review
Authors: Matiz Alessio , Scaggiante Bruna , Conversano Ciro , Gemignani Angelo , Pascoletti Gaetano , Fabbro Franco , Crescentini Cristiano
Published: January 2024

Various reviews and meta‐analyses have shown the positive effects of mindfulness‐based interventions (MBIs) on the mental health of cancer patients and survivors. Some studies have also investigated the impact of MBIs on physiological markers of health in oncology, but a systematic review has not been conducted in this field. The current paper aims to fill this gap in the literature. Following preferred reporting items for systematic reviews and meta‐analyses 2020 guidelines, data were obtained from the databases of Pubmed, Scopus, Web of Science in May 2022. Twenty‐five studies were included. Globally, 35 biomarkers were employed in these studies and were categorized 8 groups (cortisol; blood pressure (BP), heart rate, and respiratory rate; C‐reactive protein; telomere length and telomerase activity (TA); genetic signature; cytokines and hormones; leucocyte activation; leucocyte count and cell subpopulation analysis). In seven of these categories of biomarkers, positive effects of MBIs were observed. The most promising results were obtained for cortisol, BP, TA and pro‐inflammatory gene expression. However, the generally low number of studies per single biomarker limits the possibility to draw reliable conclusions. The present review presents a comprehensive state‐of‐the‐art for MBIs in oncology on biomarkers, confirming MBIs' potential for improving physiological health in cancer patients and survivors besides those already shown in literature on psychological well‐being.
Intervention‐Free Graphitization of Carbon Microspheres from a Non‐Graphitizing Polymer at Low Temperature: Nanopores as Dynamic Nanoreactors
Authors: Afzalalghom Aliyeh , Beitollahi Ali , Mirkazemi Seyed Mohammad , Maleki Mahdi , Sarpoolaky Hossein
Published: January 2024

Graphitizability of organic precursors is the topic of numerous investigations due to the wide applications of graphitic materials in the industry and emerging technologies of supercapacitors, batteries, etc. Most polymers, such as polydivinyl benzene (PDVB) are classified as non‐graphitizings that do not convert to Graphite even after heating to 3000℃. Here, for the first time, the development of graphitic structure in the hierarchal porous sulfonated‐PDVB microspheres without employing specific equipment or additives like metal catalysts, organic ingredients, or graphite particles, at 1100°C is reported. The abnormal additive‐free graphitic structure formation is confirmed by Raman spectroscopy (ID/IG = 0.87), high‐resolution transmission electron microscopy (HRTEM), and selected area diffraction patterns (SAED), as well as x‐ray diffraction patterns (XRD), while preservation of aromatic compounds from the carbonization is detected by Fourier transform infrared (FTIR) analysis. Polymer evolution from room temperature to 1100°C is also studied by FTIR, Raman spectroscopy, and XRD techniques. Based on the obtained results, it is suggested that the hierarchal and complicated ink‐bottle pore network with a high surface area besides super micropores in the sulfonated‐PDVB microspheres has served as nano‐sized reaction media. These pores, hereafter referred as “dynamic nanoreactors”, are expected to have confined the in‐situ produced thermal decomposition products containing broken bond benzene rings, while changing dimensionally and structurally during the designed carbonization regime. This confinement has led to the benzene rings fusion at 250°C, a remarkable extension of them at 450°C, their growth to graphene sheets at 900°C and finally, the stacking of curved graphene layers at 1100°C. The results of this research put stress on the capability of nanopores as nanoreactors to facilitate reactions of decomposition products at low temperatures and ambient pressures to form stacked layers of graphene; A transformation that normally requires catalysts and very high pressures for only specific polyaromatic hydrocarbons.
Promoting Ruddlesden–Popper Perovskite Formation by Tailoring Spacer Intramolecular Interaction for Efficient and Stable Solar Cells
Authors: Dong Xue , Li Yiqun , Wang Xiaobo , Zhou Yipeng , Zhao Yuzhen , Song Wenqi , Xu Shudong , Wang Fangmin , Ran Chenxin , Song Lin , Miao Zongcheng
Published: January 2024

Low‐dimensional Ruddlesden–Popper phase (LDRP) perovskites are widely studied in the field of photovoltaics due to their tunable energy‐band properties, enhanced photostability, and improved environmental stability compared to the 3D perovskites. However, the insulating spacers with weak intramolecular interaction used in LDRP materials limit the out‐of‐plane charge transport, leading to poor device performance of LDRP perovskite solar cells (PSCs). Here, a functional ligand, 3‐guanidinopropanoic acid (GPA), which is capable of forming strong intramolecular hydrogen bonds through the carboxylic acid group, is employed as an organic spacer for LDRP PSCs. Owing to the strong interaction between GPA molecules, high‐quality LDRP (GPA)2(MA)n‐1PbnI3n+1 film with promoted formation of n = 5 phase, improved crystallinity, preferential vertical growth orientations, reduced trap‐state density, and prolonged carrier lifetime is achieved using GPAI as the dimensionality regulator compared to butylamine hydroiodide (BAI). As a result, GPA‐based LDRP PSC exhibits a champion power conversion efficiency of 18.16% that is much superior to the BA‐based LDRP PSC (15.43%). Importantly, the optimized GPA‐based LDRP PSCs without encapsulation show enhanced illumination, thermal, storage, and humidity stability compared to BA‐based ones. This work provides new insights into producing high n value LDRP films and their efficient and stable PSCs.
A Method of Field Elevation Measurement in Distribution Network Work Based on Combination of Barometric Altimetry and Motion Detection
Authors: Yang Ying‐Chun , Tang Li‐Jun , Zhao Xu , Han Tian‐Xi
Published: January 2024

Accurate detection of violations in the process of high‐altitude operation plays an essential role in improving the safety production level of distribution network work. The basis of detecting violations in work at high altitude is to accurately measure the ground height of relevant workers and tools. Therefore, in this study, a method of on‐site elevation measurement in distribution network based on the combination of atmospheric pressure measurement and climbing motion detection is proposed. Through the atmospheric pressure sensor installed on the operator, the accurate value of the altitude change of the operator in a short time can be obtained. At the same time, the acceleration sensor and SVM classifier are used to identify the climbing action of the operator, and the CDHA algorithm is proposed to accumulate the height changes measured by the atmospheric pressure sensor when the operator climbs, so as to obtain the height value of the operator relative to the ground. At the same time, the problem that the height measurement results of the atmospheric pressure sensor drift significantly after a long time of operation is solved. The experimental results show that the average measurement error of the operator's height above the ground by this method is 0.33 m, which is better than the existing comparison methods, and further verifies the validity of the proposed method in accurately determining the height of operator off the ground. © 2024 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC.
A novel empirical model for vertical profiles of downburst horizontal wind speed
Authors: Dang Huixue , Xing Guohua , Wang Hailong , Harmanto Dani , Yao Weigang
Published: January 2024

This study proposes an empirical model for preliminary wind‐resist design of downburst flow. Existing empirical models were compared with field data and found to underpredict horizontal wind speed below the height corresponding to the maximum radial velocity, due to the neglect of viscous effects and the evolution of vertical wind profiles along radial direction. To address these deficiencies, semi‐empirical piecewise functions including wall shear effects in the local turbulent boundary layer and interpolation functions were proposed to improve the accuracy of existing models. The wind profile based on Coles' theory was found to agree well with field data, with the parabola interpolation function being the most desirable. Using the proposed method, the vertical profile of horizontal wind speed at different local radial locations can be predicted for wind resist design given the inlet wind speed of the downburst flow. Overall, this model improves upon existing empirical models and allows for more accurate wind‐resist design.
Hohes Interaktionspotenzial volldigitaler Lehrveranstaltungen mit Breakout-Sessions – Ergebnisse einer Pilotstudie
Authors: Dombrowski Tobias , Pursche Nils , Beutner Caroline , Beutner Dirk
Published: January 2024

Hintergrund

Der Flipped Classroom (FC) ist eine mittlerweile populäre Variante des Blended Learning mit einem auf den Lernenden zentrierten, didaktischen Ansatz. Hierbei werden vorab Grundlagen eines Themas selbst erarbeitet und in der Präsenzphase gemeinsam vertieft. Getriggert durch die COVID-19-Pandemie haben sich bei ausbleibender Präsenzmöglichkeit neue Ansätze ergeben, einen volldigitalen FC umzusetzen.

Ziel der Arbeit

In dieser Arbeit wurde als Pilotprojekt ein interaktiver, volldigitaler FC mit Elementen kollaborativen Lernens etabliert und die Umsetzung aufgearbeitet.

Material und Methoden

Die FC-Veranstaltung zum Thema „Speicheldrüsenerkrankungen“ wurde in ein volldigitales Konzept transformiert. Nach dem Selbststudium mit digitalen Lerneinheiten oder Vorlesungsaufzeichnungen wurde die Präsenzveranstaltung online abgehalten und mit Breakout-Sessions, interaktiver Demonstration der klinischen Untersuchung inklusive Sonographie und formativem Assessment angereichert. Mit einem Fragebogen mit 27 Items erfolgt die dezidierte Evaluation der Veranstaltung.

Ergebnisse

Durch die Verwendung gängiger Hard- und Software konnte die Veranstaltung auf eine stabile technische Basis gestellt werden. Insgesamt konnten die Antworten von 55 Studierenden in die Auswertung mit einbezogen werden. In den Breakout-Sessions zeigte sich eine hohe Interaktion zwischen den Teilnehmern. Die Bewertung der Veranstaltung und insbesondere des Lernfortschritts zeigten gute Ergebnisse trotz fehlender Vorbereitung der Grundlagen bei 27 % des Untersuchungskollektivs.

Schlussfolgerung

Auch ein volldigitaler FC kann zu hoher Zufriedenheit führen. Für das Gelingen der Veranstaltung ist neben qualitativ hochwertiger Vorbereitung eine stabile technische Basis, ein sorgfältiges Zeitmanagement und eine geeignete Themenwahl erforderlich. Das Einbinden medizinischen Bildmaterials ist dabei in didaktisch guter Qualität möglich. Die zusätzliche Implementation von Breakout-Sessions und Voting-Tools kann dann zu einem für Dozierende und Studierende befriedigenden Lern- und Lehrerfolg in einer volldigitalen Lehrveranstaltung führen.
The role of vision in sensory integration models for predicting motion perception and sickness
Authors: Kotian Varun , Irmak Tugrul , Pool Daan , Happee Riender
Published: January 2024

Users of automated vehicles will engage in other activities and take their eyes off the road, making them prone to motion sickness. To resolve this, the current paper validates models predicting sickness in response to motion and visual conditions. We validate published models of vestibular and visual sensory integration that have been used for predicting motion sickness through sensory conflict. We use naturalistic driving data and laboratory motion (and vection) paradigms, such as sinusoidal translation and rotation at different frequencies, Earth-Vertical Axis Rotation, Off-Vertical Axis Rotation, Centrifugation, Somatogravic Illusion, and Pseudo-Coriolis, to evaluate different models for both motion perception and motion sickness. We investigate the effects of visual motion perception in terms of rotational velocity (visual flow) and verticality. According to our findings, the SVCI model, a 6DOF model based on the Subjective Vertical Conflict (SVC) theory, with visual rotational velocity input is effective at estimating motion sickness. However, it does not correctly replicate motion perception in paradigms such as roll-tilt perception during centrifuge, pitch perception during somatogravic illusion, and pitch perception during pseudo-Coriolis motions. On the other hand, the Multi-Sensory Observer Model (MSOM) accurately models motion perception in all considered paradigms, but does not effectively capture the frequency sensitivity of motion sickness, and the effects of vision on sickness. For both models (SVCI and MSOM), the visual perception of rotational velocity strongly affects sickness and perception. Visual verticality perception does not (yet) contribute to sickness prediction, and contributes to perception prediction only for the somatogravic illusion. In conclusion, the SVCI model with visual rotation velocity feedback is the current preferred option to design vehicle control algorithms for motion sickness reduction, while the MSOM best predicts perception. A unified model that jointly captures perception and motion sickness remains to be developed.
Effect of CO2 Concentrations on Entomopathogen Fitness and Insect-Pathogen Interactions
Authors: Herren Pascal , Dunn Alison M. , Meyling Nicolai V. , Savio Carlotta , Hesketh Helen
Published: January 2024

Numerous insect species and their associated microbial pathogens are exposed to elevated CO2 concentrations in both artificial and natural environments. However, the impacts of elevated CO2 on the fitness of these pathogens and the susceptibility of insects to pathogen infections are not well understood. The yellow mealworm, Tenebrio molitor, is commonly produced for food and feed purposes in mass-rearing systems, which increases risk of pathogen infections. Additionally, entomopathogens are used to control T. molitor, which is also a pest of stored grains. It is therefore important to understand how elevated CO2 may affect both the pathogen directly and impact on host-pathogen interactions. We demonstrate that elevated CO2 concentrations reduced the viability and persistence of the spores of the bacterial pathogen Bacillus thuringiensis. In contrast, conidia of the fungal pathogen Metarhizium brunneum germinated faster under elevated CO2. Pre-exposure of the two pathogens to elevated CO2 prior to host infection did not affect the survival probability of T. molitor larvae. However, larvae reared at elevated CO2 concentrations were less susceptible to both pathogens compared to larvae reared at ambient CO2 concentrations. Our findings indicate that whilst elevated CO2 concentrations may be beneficial in reducing host susceptibility in mass-rearing systems, they may potentially reduce the efficacy of the tested entomopathogens when used as biological control agents of T. molitor larvae. We conclude that CO2 concentrations should be carefully selected and monitored as an additional environmental factor in laboratory experiments investigating insect-pathogen interactions.
Proteome-Wide Analysis of Lysine 2-Hydroxyisobutyrylation in Aspergillus fumigatus
Authors: Zheng Hailin , Mei Huan , Li Xiaofang , Li Dongmei , Liu Weida
Published: January 2024

Aspergillus fumigatus is the significant causative agent in cases of invasive aspergillosis, leading to a high mortality rate in immunocompromised patients. A comprehensive understanding of its growth patterns and metabolic processes within the host is a critical prerequisite for the development of effective antifungal strategies. Lysine 2-hydroxyisobutyrylation (Khib) is a highly conserved protein posttranslational modifications (PTM) found in various organisms. In this study, we investigate the biological impact of Khib in A. fumigatus. Using a combination of antibody enrichment with the conventional LC–MS/MS method, the pattern of Khib-modification in proteins and their respective sites were analyzed in a wild type strain of A. fumigatus. Our findings revealed 3494 Khib-modified proteins with a total of 18,091 modified sites in this strain. Functional enrichment analysis indicated that these Khib-modified proteins participate in a diverse range of cellular functions, spanning various subcellular locations such as ribosome biosynthesis, protein synthesis and nucleocytoplasmic transport. Notably, when compared with other reported eukaryotes, A. fumigatus exhibited consistently higher numbers of Khib-modified proteins, suggesting the potential significance of this modification in this organism. An interesting observation is the prevalence of Khib modifications in most enzymes involved in the ergosterol synthesis pathway. The insights gathered from this study provide new avenue for studying PTM-associated mechanisms in fungal growth and offer potential implication for antifungal drug development.
Neonatal outcomes in pregnancies complicated by placenta accreta- a matched cohort study
Authors: Toussia-Cohen Shlomi , Castel Elias , Friedrich Lior , Mor Nizan , Ohayon Aviran , Levin Gabriel , Meyer Raanan
Published: January 2024

Purpose

Pregnancies complicated by placenta accreta spectrum (PAS) are associated with severe maternal morbidities. The aim of this study is to describe the neonatal outcomes in pregnancies complicated with PAS compared with pregnancies not complicated by PAS.

Methods

A retrospective cohort study conducted at a single tertiary center between 03/2011 and 01/2022, comparing women with PAS who underwent cesarean delivery (CD) to a matched control group of women without PAS who underwent CD. We evaluated the following adverse neonatal outcomes: umbilical artery pH < 7.0, umbilical artery base excess ≤ − 12, APGAR score < 7 at 5 min, neonatal intensive care unit (NICU) admission, mechanical ventilation, hypoxic ischemic encephalopathy, seizures and neonatal death. We also evaluated a composite adverse neonatal outcome, defined as the occurrence of at least one of the adverse neonatal outcomes described above. Multivariable regression analysis was used to determine which adverse neonatal outcome were independently associated with the presence of PAS.

Results

265 women with PAS were included in the study group and were matched to 1382 controls. In the PAS group compared with controls, the rate of composite adverse neonatal outcomes was significantly higher (33.6% vs. 18.7%, respectively, p < 0.001). In a multivariable logistic regression analysis, Apgar score < 7 at 5 min, NICU admission and composite adverse neonatal outcome were independently associated with PAS.

Conclusion

Neonates in PAS pregnancies had higher rates of adverse outcomes. Apgar score < 7 at 5 min, NICU admission and composite adverse neonatal outcome were independently associated with PAS.
The poor prognosis of lacrimal gland adenocarcinoma: a clinical study and literature review
Authors: Liu Rui , Ren Tingting , Li Jing , Wang Nan , Xu Liangyuan , Guo Qihan , Zhang Hong , Ma Jianmin
Published: January 2024

Purpose

The incidence of lacrimal gland adenocarcinoma is low. This study was designed to analyze the clinical and prognostic characteristics of lacrimal gland adenocarcinoma.

Methods

This was a clinical study and literature review; 25 patients diagnosed with lacrimal gland adenocarcinoma by histopathology were enrolled and their medical history data were collected.

Results

The incidence of bone destruction and surrounding tissue invasion was 52% and 44%, respectively. The incidence of distant metastasis of lacrimal gland adenocarcinoma was about 50%. The 5-year overall survival rate of death or metastasis was 33.5%. Age, sex, laterality, tumor size, pathology type, bone destruction, nerve or perineural invasion, invasion of peripheral tissue, T stage, AR, Her-2 and treatment had no significant correlation with lacrimal adenocarcinoma’s prognosis (P > 0.05), while the higher expression of Ki-67 may have higher risk of death or metastasis (P = 0.020).

Conclusion

The incidence of bone destruction and distant metastasis of lacrimal adenocarcinoma is high and the imaging examination is necessary to assess the risk of distant metastasis. The 5-year survival rate of death or metastasis is 33.5% and the high expression of Ki-67 predicts poor prognosis of lacrimal adenocarcinoma.