bluuebunny/crossref_metadata_2025 huggingface dataset:
Vigor at work mediates the effect of transformational and authentic leadership on engagement
Authors: Lopez-Zafra Esther , Pulido-Martos Manuel , Cortés-Denia Daniel
Published: October 2022

Several studies have posited that authentic leadership (AL) and transformational leadership (TFL) imply ethical behaviour that can mitigate tendencies towards low engagement at work. However, there is a lack of studies analysing, for the same sample, the effect of both styles as a job resource and their effects on employees’ engagement as a means of facilitating their work goals and reducing their job demands. This study addresses this shortcoming by analysing the relations of both leadership styles to vigor, an affective construct, and engagement at work, a motivational outcome. Moreover, the possible mediation effect of vigor at work on the relationship between both leadership styles and engagement is considered. Finally, we explore the differential contributions of both styles to employees’ resources. A sample of Spanish employees (N = 215; 48.8% female) under the supervision of a direct leader responded concerning the TFL and AL of their closest supervisor and their own vigor at work and engagement. Our results show that vigor increases the effect of both leadership styles on engagement. Moreover, TFL, to a greater extent than AL, relates to higher engagement. Thus, vigor as an affective dimension mediates the effect of positive leadership on engagement. This study considers, for the same sample, the effects of two related, albeit different, leadership styles. The results indicate that AL and TFL are positively perceived by employees as creating a climate of energy that acts as a resource (both organizational and personal). Practitioners could enhance employees’ vigor at work and engagement by promoting these two leadership styles.
Loss of miR-936 leads to acquisition of androgen-independent metastatic phenotype in prostate cancer
Authors: Edachery Sarathkumar , Patil Prakash , Mohan Rajashekar , Aradhya Bhuvanesh , Shetty Jayaprakash , Kabekkodu Shama Prasada , Santra Manas Kumar , Gonchigar Sathisha Jayanna , Shetty Praveenkumar
Published: October 2022

Prostate cancer (PCa) progresses from a hormone-sensitive, androgen-dependent to a hormone-refractory, androgen-independent metastatic phenotype. Among the many genes implicated, ANXA2, a calcium-dependent phospholipid binding protein, has been found to have a critical role in the progression of PCa into more invasive metastatic phenotype. However, the molecular mechanisms underlying the absence of ANXA2 in early PCa and its recurrence in advanced stage are yet unknown. Moreover, recent studies have observed the deregulation of microRNAs (miRNAs) are involved in the development and progression of PCa. In this study, we found the down-regulation of miR-936 in metastatic PCa wherein its target ANXA2 was overexpressed. Subsequently, it has been shown that the downregulation of miRNA biogenesis by siRNA treatment in ANXA2-null LNCaP cells could induce the expression of ANXA2, indicating the miRNA mediated regulation of ANXA2 expression. Additionally, we demonstrate that miR-936 regulates ANXA2 expression by direct interaction at coding as well as 3′UTR region of ANXA2 mRNA by luciferase reporter assay. Furthermore, the overexpression of miR-936 suppresses the cell proliferation, cell cycle progression, cell migration, and invasion abilities of metastatic PCa PC-3 cells in vitro and tumor forming ability in vivo.These results indicate that miR-936 have tumor suppressor properties by regulating the over expression of ANXA2 in hormone-independent metastatic PCa. Moreover, our results suggest that this tumor suppressor miR-936 could be developed as a targeted therapeutic molecule for metastatic PCa control and to improve the prognosis in PCa patients.
Bacterial infiltration and detorque at the implant abutment morse taper interface after masticatory simulation
Authors: Bella Ana Paula Granja Scarabel Nogueira , Tuzita Alessandra Sayuri , Suffredini Ivana Barbosa , Kojima Alberto Noriyuki , Giovani Elcio Magdalena , Mesquita Alfredo Mikail Melo
Published: October 2022

This study evaluated the bacterial infiltration and the detorque of indexed and non-indexed abutments of Morse taper implants (MTI) after mechanical cycling (MC). 40 MTI were distributed into four groups: IIA (indexed implant abutments); NIIA (non-indexed implant abutments); IIAMC (indexed implant abutments submitted to MC); NIIAMC (non-indexed implant abutments submitted to MC), which were carried out under one million 5 Hz frequency and 3 Bar pressure. After mechanical cycling, all groups were immersed in a bacterial solution in Brain Heart Infusion Agar. After detorque, the bacteria infiltration was evaluated by counting the colony-forming units. For the bacterial infiltration, analysis was applied to the Kruskal–Wallis test (p = 0.0176) followed by Dunn’s test. For the detorque analysis, the two-way repeated-measures ANOVA was applied, followed by the Tukey’s test (p < 0.0001). Bacteria infiltration was highly observed in NIIA (p = 0.0027) and were absent in IIAMC and NIIAMC. The detorque values for IIA (19.96Ncm ± 0.19Ncm), NIIA (19.90Ncm ± 0.83Ncm), and NIIAMC (19.51Ncm ± 0,69Ncm) were similar and remained close to the initial value, while IIAMC (55.2Ncm ± 2.36Ncm) showed an extremely significant torque value increase (p < 0.0001). The mechanical cycling resulted in mechanical sealing of the implant-abutment interface, preventing bacterial infiltration in the indexed and non-indexed specimens, and increasing the detorque strength in the group of indexed abutments.
Anticoccidial and immunogenic effectivity of encapsulated organic acids and anticoccidial drugs in broilers infected with Eimeria spp.
Authors: Nouri Ali
Published: October 2022

The study was conducted to consider the anticoccidial and immunogenic effectivities of encapsulated organic acids and anticoccidial drugs in broilers reared on a reused litter infected with Eimeria spp. for simulating in-field exposure to avian coccidiosis. 525 mixed-sex one-day-old broiler chicks (Ross 308) were used in a 2 × 3 factorial experiment as a completely randomized design with seven experimental groups and five replicates of 15 chicks. The seven experimental groups were included: negative (uninfected; T1) and positive (infected; T2) control groups fed a diet without additive, and other infected groups (T3–T7) fed diets supplemented with 0.05% maduramicin, 0.02% diclazuril, 0.1% EOAs, 0.05% maduramicin and 0.1% EOAs, 0.02% diclazuril and 0.1% EOAs. During the experimental period, the evaluated parameters were European production efficiency factor (EPEF; at 22 days of age (d)), oocyst output per gram feces (OPG; at different ages), oocyst reduction rate (ORR; at 22-d), survival rate (SR; at 22-d), caecal lesion score (CLS at 22-d), sporulation percentage (SP; by in vitro anticoccidial tests), bloody diarrhea (BD; by scoring the bloody feces each morning from 13 to 31-d), immunity (humoral test at 28 and 35-d and cell-mediated test at 22-d), goblet cells analysis of the jejunum (GC; at 22-d) and anti-coccidiosis index (ACI; at 22-d). EOAs and anticoccidials, especially their simultaneous feeding improved (P < 0.05) broiler’s EPEF, SR, OPG, ORR, SP, CLS, immunity and BD (scored). ACI was improved (P < 0.05) by EOAs more than anticoccidials (marked vs. moderate). The highest ACI was significantly observed in EOAs + diclazuril group. EOAs as a safe alternative had more intensive anticoccidial and immunogenic properties and increased the anticoccidial drugs’ effectiveness, especially diclazuril in Eimeria spp-infected broilers.
Effects of multi-directional step exercise with weight-shifting as an adjunct to conventional exercises on balance and gait in stroke patients
Authors: Shrestha Rakesh , Sandesh T. S. , Jalal Zainab , Nuhmani Shibili , Alghadir Ahmad H. , Khan Masood
Published: October 2022

Stroke patients have gait dysfunctions that affect their activities of daily living. Stroke patients should be able to take multi-directional steps as it is necessary to achieve an independent gait. The study aimed to examine the effects of multi-directional step exercises (MSE) along with weight-shifting as an adjunct to conventional therapeutic exercises (CTE) on functional gait performance and balance in patients with stroke. Twenty-four stroke patients (mean age 56.75 years) participated in the study and were divided into experimental and control groups. The experimental group (EG) included MSE along with weight shifting and CTE. The control group (CG) included only CTE. Treatment intervention lasted for 4 weeks. Gait and balance were measured using the functional gait assessment (FGA) and the berg balance scale (BBS), respectively. EG showed a significant improvement (p = 0.000) in both the BBS and FGA scores. In CG, a significant improvement (p = 0.000) was observed only in FGA scores. EG showed a greater improvement in scores of BBS (p = 0.000) and FGA (p = 0.000) than CG. Four weeks of MSE in conjunction with CTE were more effective in improving balance and functional gait performance compared to CTE alone in the selected stroke population.
A semi-analytical passive strategy to examine the water-ethylene glycol (50:50)-based hybrid nanofluid flow over a spinning disk with homogeneous–heterogeneous reactions
Authors: Algehyne Ebrahem A. , Altaweel Nifeen H. , Saeed Anwar , Dawar Abdullah , Ramzan Muhammad , Kumam Poom
Published: October 2022

Scientists and researchers are much interested in studying graphene and silver nanoparticles for the enhancement of heat transport due to their extensive variety of applications in different areas of industrial and engineering such as drug delivery, medical devices, ultra-light, excellent electrical conductivity, strong medical strength, health care, consumer, food, etc. Therefore, in the existing investigation, the MHD flow of a mixed convective hybrid nanoliquid with graphene and silver nanoparticles past a rotating disk is considered. Water and ethylene glycol (50:50) is used as a base liquid in the existing model. The mechanism for heat transport is computed with the existence of thermal radiation and thermal convective condition. Homogeneous and heterogeneous chemical reactions are assumed in the flow behavior. The mathematical formulation of the proposed problem is based on the nonlinear PDEs which are then transformed to nonlinear ODEs by manipulating the appropriate similarity transformation. The simulation of the existing problem has been performed with the help of the homotopy analysis technique. The outcomes of the different flow parameters on the velocities, temperature, concentration, skin friction coefficient, and Nusselt number of the hybrid nanofluid are attained via graphs and tables. Some significant results from the existing problem demonstrate that the rate of heat transport is greater for the thermal Biot number and nanoparticles volume fraction. Further, it is noticed that the velocity of the liquid particles becomes lower for a higher magnetic field parameter.
Alterations of brain microstructures in a mouse model of prenatal opioid exposure detected by diffusion MRI
Authors: Grecco Gregory G. , Shahid Syed Salman , Atwood Brady K. , Wu Yu-Chien
Published: October 2022

Growing opioid use among pregnant women is fueling a crisis of infants born with prenatal opioid exposure. A large body of research has been devoted to studying the management of opioid withdrawal during the neonatal period in these infants, but less substantive work has explored the long-term impact of prenatal opioid exposure on neurodevelopment. Using a translationally relevant mouse model of prenatal methadone exposure (PME), the aim of the study is to investigate the cerebral microstructural differences between the mice with PME and prenatal saline exposure (PSE). The brains of eight-week-old male offspring with either PME (n = 15) or PSE (n = 15) were imaged using high resolution in-vivo diffusion magnetic resonance imaging on a 9.4 Tesla small animal scanner. Brain microstructure was characterized using diffusion tensor imaging (DTI) and Bingham neurite orientation dispersion and density imaging (Bingham-NODDI). Voxel-based analysis (VBA) was performed using the calculated microstructural parametric maps. The VBA showed significant (p < 0.05) bilateral alterations in fractional anisotropy (FA), mean diffusivity (MD), axial diffusivity (AD), radial diffusivity (RD), orientation dispersion index (ODI) and dispersion anisotropy index (DAI) across several cortical and subcortical regions, compared to PSE. Particularly, in PME offspring, FA, MD and AD were significantly higher in the hippocampus, dorsal amygdala, thalamus, septal nuclei, dorsal striatum and nucleus accumbens. These DTI-based results suggest widespread bilateral microstructural alterations across cortical and subcortical regions in PME offspring. Consistent with the observations in DTI, Bingham-NODDI derived ODI exhibited significant reduction in PME offspring within the hippocampus, dorsal striatum and cortex. NODDI-based results further suggest reduction in dendritic arborization in PME offspring across multiple cortical and subcortical regions. To our best knowledge, this is the first study of prenatal opioid exposure to examine microstructural organization in vivo. Our findings demonstrate perturbed microstructural complexity in cortical and subcortical regions persisting into early adulthood which could interfere with critical neurodevelopmental processes in individuals with prenatal opioid exposure.
Reproductive performance and milk yield of rabbits fed diets supplemented with garden cress (Lepidium sativum) seed
Authors: El-Gindy Yassmine M. , Zahran Soliman M. , Ahmed Mohamed H. , Idres Azza Y. , Aboolo Safaa H. , Morshedy Sabrin A.
Published: October 2022

Recently, phytochemicals in plants have evoked interest as sources of naturally beneficial substances and as alternatives to antimicrobials. Based on these benefits, it was hypothesized that garden cress (GC; Lepidium sativum) supplementation could overcome the negative impacts of severe heat stress on the reproductive and lactation performance, physiological parameters, and antioxidant status of rabbits. Twenty-four mature V-line does (6 months old) with an average body weight of 3.65 ± 0.54 kg were randomly assigned into four homogenously equal groups (n = 6) according to the level of supplemented GC seeds. Rabbits in the control group were fed a basal diet without GC seeds (GC 0), the other three treatment groups (GC 3, GC 4.5, and GC 6) were fed a basal diet supplemented with GC seeds at levels 3, 4.5 and 6%, respectively. Investigations revealed that the inclusion of 3% GC enhanced the litter weight of heat-stressed rabbits on the 7th, 14th, and 21st days. Furthermore, treatment with 3% and 6% GC seeds increased the milk yield on the 28th day. the most of lipid profile parameters, such as cholesterol, triglyceride, high-density lipoprotein (HDL), low-density lipoprotein (LDL), serum urea levels, and antioxidant status improved in rabbits supplemented with 6% GC. In conclusion, the dietary supplemention of GC seed at 6% increased milk yield at 28th day “weaning age”, consequently, improved the blood lipid profile and antioxidant status. Further studies should be conducted to commercialize theusage of garden cress seeds as a supplement in rabbits.
Infants expect agents to minimize the collective cost of collaborative actions
Authors: Mascaro Olivier , Csibra Gergely
Published: October 2022

This paper argues that human infants address the challenges of optimizing, recognizing, and interpreting collaborative behaviors by assessing their collective efficiency. This hypothesis was tested by using a looking-time study. Fourteen-month-olds (N = 32) were familiarized with agents performing a collaborative action in computer animations. During the test phase, the looking times were measured while the agents acted with various efficiency parameters. In the critical condition, the agents’ actions were individually efficient, but their combination was either collectively efficient or inefficient. Infants looked longer at test events that violated expectations of collective efficiency (p = .006,d = 0.79). Thus, preverbal infants apply expectations of collective efficiency to actions involving multiple agents.
Characteristics of drug-related problems and pharmacist’s interventions in hospitalized patients in Thailand: a prospective observational study
Authors: Deawjaroen Kulchalee , Sillabutra Jutatip , Poolsup Nalinee , Stewart Derek , Suksomboon Naeti
Published: October 2022

Drug-related problems (DRPs) are a major health concern. A better understanding of the characteristics of DRPs throughout the hospital stay may help to tailor pharmaceutical care services (PCS). This study aims to describe the characteristics of DRPs and to compare DRP pattern in different stages of hospital stay. DRPs were identified by clinical pharmacists as part of their routine services. Pharmacist assessed causality, severity and preventability of DRP. A total of 316 preventable DRPs occurred in 257 patients with the median of 1 (rang 1–3) DRPs per patient. 46.8% of DRPs occurred at discharge than at other stages. The most frequent cause of DRP was no drug treatment in spite of existing indication, accounting for 32.3% of all DRPs. No drug treatment with existing indication was detected frequently at discharge (56.1%) compared with other stages (p-value < 0.001). The common intervention to physician was starting a drug (34.0%) and the acceptance rate was 95.8%. DRPs in hospitalized patients occur at any stage of the hospital stay. Systematic identification of DRP characteristics enables pharmacists to tailor optimal type of PCS required and hence improve patient safety.
Investigating the role of auditory and visual sensory inputs for inducing relaxation during virtual reality stimulation
Authors: Naef Aileen C. , Jeitziner Marie-Madlen , Knobel Samuel E. J. , Exl Matthias Thomas , Müri René M. , Jakob Stephan M. , Nef Tobias , Gerber Stephan M.
Published: October 2022

Stress is a part of everyday life which can be counteracted by evoking the relaxation response via nature scenes presented using immersive virtual reality (VR). The aim of this study was to determine which sensory aspect of immersive VR intervention is responsible for the greatest relaxation response. We compared four conditions: auditory and visual combined (audiovisual), auditory only, visual only, and no artificial sensory input. Physiological changes in heart rate, respiration rate, and blood pressure were recorded, while participants reported their preferred condition and awareness of people, noise, and light in the real-world. Over the duration of the stimulation, participants had the lowest heart rate during the audiovisual and visual only conditions. They had the steadiest decrease in respiration rate and the lowest blood pressure during the audiovisual condition, compared to the other conditions, indicating the greatest relaxation. Moreover, ratings of awareness indicated that participants reported being less aware of their surroundings (i.e., people, noise, light, real environment) during the audiovisual condition versus the other conditions (p < 0.001), with a preference for audiovisual inputs. Overall, the use of audiovisual VR stimulation is more effective at inducing a relaxation response compared to no artificial sensory inputs, or the independent inputs.
Anopheles gambiae s.l. swarms trapping as a complementary tool against residual malaria transmission in eastern Gambia
Authors: Assogba Benoît Sessinou , Sillah Salimina , Opondo Kevin O. , Cham Sheikh Tijan , Camara Muhammed M. , Jadama Lamin , Camara Lamin , Ndiaye Assane , Wathuo Miriam , Jawara Musa , Diabaté Abdoulaye , Achan Jane , D’Alessandro Umberto
Published: October 2022

Malaria remains a major health problem and vector control is an essential approach to decrease its burden, although it is threatened by insecticide resistance. New approaches for vector control are needed. The females of Anopheles gambiae s.l. mate once in their life and in the swarms formed by males. Trapping swarms of Anopheles gambiae s.l. males is a potential new intervention for vector control, alternative to the use of insecticides, as it would disrupt mating . The proof-of-concept pilot study aiming at investigating swarm trapping as a potential vector control intervention, was carried out in 6 villages as in eastern Gambia. Swarms of Anopheles gambiae s.l. were identified and their size, height, and duration determined during the baseline year. Swarm trapping by local volunteers was implemented the following transmission season in 4 villages while the other 2 villages were taken as controls. Entomological outcomes were monitored by Human Landing Catches and Pyrethrum Spray Catches. A cross-sectional survey to determine malaria prevalence was carried out at the peak of the malaria transmission season for two consecutive years. At baseline, 23 swarming sites of Anopheles gambiae s.l. were identified. Before the intervention, mean indoor resting density per house and malaria prevalence were similar between control and intervention villages. Following the intervention, Anopheles gambiae s.l. indoor resting density was 44% lower in intervention than in control villages (adj IRR: 0.0.56; 95% CI 0.47–0.68); the odds of malaria infections were 68% lower in intervention than in control villages (OR: 0.32; 95% CI 0.11–0.97). Swarm trapping seems to be a promising, community-based vector control intervention that could reduce malaria prevalence by reducing vector density. Such results should be further investigated and confirmed by larger cluster-randomized trials.
Mass spectrometry imaging discriminates glioblastoma tumor cell subpopulations and different microvascular formations based on their lipid profiles
Authors: O’Neill Kelly C. , Liapis Evangelos , Harris Brent T. , Perlin David S. , Carter Claire L.
Published: October 2022

Glioblastoma is a prevalent malignant brain tumor and despite clinical intervention, tumor recurrence is frequent and usually fatal. Genomic investigations have provided a greater understanding of molecular heterogeneity in glioblastoma, yet there are still no curative treatments, and the prognosis has remained unchanged. The aggressive nature of glioblastoma is attributed to the heterogeneity in tumor cell subpopulations and aberrant microvascular proliferation. Ganglioside-directed immunotherapy and membrane lipid therapy have shown efficacy in the treatment of glioblastoma. To truly harness these novel therapeutics and develop a regimen that improves clinical outcome, a greater understanding of the altered lipidomic profiles within the glioblastoma tumor microenvironment is urgently needed. In this work, high resolution mass spectrometry imaging was utilized to investigate lipid heterogeneity in human glioblastoma samples. Data presented offers the first insight into the histology-specific accumulation of lipids involved in cell metabolism and signaling. Cardiolipins, phosphatidylinositol, ceramide-1-phosphate, and gangliosides, including the glioblastoma stem cell marker, GD3, were shown to differentially accumulate in tumor and endothelial cell subpopulations. Conversely, a reduction in sphingomyelins and sulfatides were detected in tumor cell regions. Cellular accumulation for each lipid class was dependent upon their fatty acid residue composition, highlighting the importance of understanding lipid structure–function relationships. Discriminating ions were identified and correlated to histopathology and Ki67 proliferation index. These results identified multiple lipids within the glioblastoma microenvironment that warrant further investigation for the development of predictive biomarkers and lipid-based therapeutics.
Mine ventilation system reliability evaluation based on a Markov chain
Authors: Liu Li , Liu Jian , Zhou Qichao
Published: October 2022

Mine ventilation systems play a key role in creating and sustaining a healthy and safe working environment within the mine, and as such, should always be maintained at optimal performance levels. This paper establishes a model based on Markov chain that can quickly evaluate the reliability of the ventilation system. Firstly, the operation status of the ventilation system is divided into normal, risk and failure. Then, according to the failure rate and repair rate of the system, the operation state of the system under the specified total operation time T and time interval Δt is simulated based on Monte Carlo method, the Markov chain state transfer probability matrix of the system can be obtained. Combined with the current operation state of the system, the reliability indexes such as the system operation state transfer probability and the steady state probability in the future can be quickly analyzed to realize the rapid evaluation of the operation reliability of the ventilation system. Finally, the model is used to evaluate the reliability of XQ mine ventilation system, which shows the effectiveness of the model. This research provides theoretical reference and technical support for mine safety production.
Long-term exposure to particulate matter was associated with increased dementia risk using both traditional approaches and novel machine learning methods
Authors: Yan Yuan-Horng , Chen Ting-Bin , Yang Chun-Pai , Tsai I-Ju , Yu Hwa-Lung , Wu Yuh-Shen , Huang Winn-Jung , Tseng Shih-Ting , Peng Tzu-Yu , Chou Elizabeth P.
Published: October 2022

Air pollution exposure has been linked to various diseases, including dementia. However, a novel method for investigating the associations between air pollution exposure and disease is lacking. The objective of this study was to investigate whether long-term exposure to ambient particulate air pollution increases dementia risk using both the traditional Cox model approach and a novel machine learning (ML) with random forest (RF) method. We used health data from a national population-based cohort in Taiwan from 2000 to 2017. We collected the following ambient air pollution data from the Taiwan Environmental Protection Administration (EPA): fine particulate matter (PM2.5) and gaseous pollutants, including sulfur dioxide (SO2), carbon monoxide (CO), ozone (O3), nitrogen oxide (NOx), nitric oxide (NO), and nitrogen dioxide (NO2). Spatiotemporal-estimated air quality data calculated based on a geostatistical approach, namely, the Bayesian maximum entropy method, were collected. Each subject's residential county and township were reviewed monthly and linked to air quality data based on the corresponding township and month of the year for each subject. The Cox model approach and the ML with RF method were used. Increasing the concentration of PM2.5 by one interquartile range (IQR) increased the risk of dementia by approximately 5% (HR = 1.05 with 95% CI = 1.04–1.05). The comparison of the performance of the extended Cox model approach with the RF method showed that the prediction accuracy was approximately 0.7 by the RF method, but the AUC was lower than that of the Cox model approach. This national cohort study over an 18-year period provides supporting evidence that long-term particulate air pollution exposure is associated with increased dementia risk in Taiwan. The ML with RF method appears to be an acceptable approach for exploring associations between air pollutant exposure and disease.
Estrogen enforces the integrity of blood vessels in the bone during pregnancy and menopause
Authors: Rodrigues Julia , Wang Yi-Fang , Singh Amit , Hendriks Michelle , Dharmalingam Gopuraja , Cohen-Solal Martine , Kusumbe Anjali P. , Ramasamy Saravana K.
Published: October 2022

The mammalian skeletal system shows sex differences in structure, functions, aging and disease incidences. The role of blood vessels in physiological, regenerative and pathological bone functions indicates the requisite to understanding their sex specificity. In this study, we found that estrogen regulates blood vessel physiology during pregnancy and menopause through estrogen receptor alpha (ERα) and G-protein-coupled estrogen receptor-1 (GPER1) but not ERβ-dependent signaling in mice. Estrogen regulates the lipid use of bone endothelial cells (BECs) and promotes lipolysis of adipocytes and fatty acid (FA) uptake from the microenvironment. Low estrogen conditions skew endothelial FA metabolism to accumulate lipid peroxides (LPOs), leading to vascular aging. High ferrous ion levels in female BECs intensify LPO accumulation and accelerate the aging process. Notably, inhibiting LPO generation using liproxstatin-1 in aged mice significantly improved bone heath. Thus, our findings demonstrate the effects of estrogen on BECs and suggest that LPO targeting could be an efficient strategy to manage blood and bone health in females.
Raman spectral classification algorithm of cephalosporin based on VGGNeXt
Authors: Yang Siwei , Xie Yuhao , Liu Jiazhen , Zhao Shuai , Jin Shangzhong , Zhang De , Chen Qiang , Huang Jie , Liang Pei
Published: October 2022

The classification algorithm VGGNeXt of cephalosporin Raman spectrum is proposed. The low resolution spectrum of portable Raman spectrometer is predicted by using the high resolution spectrum training of benchtop Raman spectrometer.
Pd-catalysed, Ag-assisted C2–H alkenylation of benzophospholes
Authors: Tokura Yu , Xu Shibo , Kojima Yuki , Miura Masahiro , Hirano Koji
Published: October 2022

A palladium-catalysed, silver-assisted C2–H alkenylation of benzophospholes with terminal alkenes has been developed to form the corresponding benzophosphole–vinylene conjugations.
Side-chain torsional dynamics strongly influence charge transport in organic semiconductors
Authors: Banks Peter A. , Dyer Adam M. , Whalley Adam C. , Ruggiero Michael T.
Published: October 2022

The role of terahertz torsional side-chain motions on charge carrier dynamics in organic semiconductors (OSCs) is found to be highly-dependent on the equilibrium conformation of the molecule, highlighted here for thiophene-containing derivatives.
Fabrication of mixed matrix membranes with regulated MOF fillersviaincorporating guest molecules for optimizing light hydrocarbon separation performance
Authors: Feng Yang , Yu LiTing , Zhang Kai , Fan Weidong , Fan Lili , Kang Zixi , Sun Daofeng
Published: October 2022

Guest molecules were incorporated into MOF fillers to construct MMMs withPIM-1for enhanced gas separation performance.
Metal–organic framework (MOF)-derived hollow hybrid Cu2O/Cu/Au for non-enzymatic H2O2 sensing
Authors: Chen Huan , Shao Lei , Ma Junchao , Zhou Jun , Fu Yu
Published: October 2022

Hollow Cu2O/Cu/Au is synthesized using hollow Cu2O/Cu derived from hollow Cu-MOF-74 as a self-sacrificial template with a uniform dispersion of Au particles. It integrates high sensitivity and wide detection range for H2O2 non-enzymatic sensing.
An accurate NH2(X2A′′) CHIPR potential energy surface via extrapolation to the complete basis set limit and dynamics of the N(2D) + H2(X1Σ+g) reaction
Authors: Li Ximing , Qin Zhi , Li Jing , Liu Linhua
Published: October 2022

An accurate CHIPR potential energy surface for NH2(X2A′′) is structured to study the N(2D) + H2(X1Σ+g) reaction using the time-dependent wave packet and quasi-classical trajectory method.
On the growth regimes of hydrogen bubbles at microelectrodes
Authors: Bashkatov Aleksandr , Hossain Syed Sahil , Mutschke Gerd , Yang Xuegeng , Rox Hannes , Weidinger Inez M. , Eckert Kerstin
Published: October 2022

Beside classical growth (regime I), depending on potential and concentration, new growth regimes of hydrogen bubbles were found. These differ with respect to the existence of a carpet of microbubbles underneath and of current oscillations.
Transformation process of ice crystallized from a glassy dilute trehalose aqueous solution
Authors: Suzuki Yoshiharu , Takeya Satoshi
Published: October 2022

Crystal growth of ice Isd occurring after crystallization of a glassy dilute trehalose aqueous solution is slower than that of ice Isd in a dilute glycerol solution and pure ice Isd, and ice Isd in trehalose aqueous solution survives to ∼230 K.
Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations
Authors: Snyder Ryan , Kim Bryant , Pan Xiaoliang , Shao Yihan , Pu Jingzhi
Published: October 2022

In this machine-learning-facilitated method, Gaussian process regression (GPR) is used to predict energy and force corrections for a semiempirical QM/MM level to match with ab initio QM/MM results during MD-based free energy simulations.
Theoretical insights into the gaseous and heterogeneous reactions of halogenated phenols with ˙OH radicals: mechanism, kinetics and role of (TiO2)nclusters in degradation processes
Authors: Bai Feng-Yang , Yang Yu-Zhuo , Liu Xiang-Huan , Ni Shuang , Pan Xiu-Mei , Zhao Zhen , Li Guo-De
Published: October 2022

New insights into the mechanism of ˙OH-initiated degradation and the kinetics of halogenated phenols onto (TiO2)nclusters with controllable dimensions have been provided for the first time.
The reduction reaction of carbon dioxide on a precise number of Fe atoms anchored on two-dimensional biphenylene
Authors: Xing Na , Liu Ziyang , Wang Zhongwei , Gao Yan , Li Qingfang , Wang Haifeng
Published: October 2022

The reduction reaction of carbon dioxide on a precise number of Fe atoms anchored on two-dimensional biphenylene.
Selectivity mechanism of muscarinic acetylcholine receptor antagonism through in silico investigation
Authors: Chen Lu , Hu Baichun , Wang Hanxun , Li Weixia , Wang Shizun , Luan Jiasi , Liu Haihan , Wang Jian , Cheng Maosheng
Published: October 2022

This work is aimed at revealing the selectivity mechanism against M4/5 via in silico strategies, revealing crucial molecular interactions such as hydrogen bond and pi-cation interactions, providing a basis for the design of subsequent M4/5 selective antagonists.
The quantum mean square displacement of thermalized CO on Cu(100) in the short time approximation
Authors: Marquardt Roberto
Published: October 2022

The mean square displacement of a thermalized CO molecule moving on a copper substrate is evaluated on the basis of a new quantum dynamical approach (Mol. Phys. 119, e1971315, 2021); results at 190 K, the Cu(100) lattice constant a ≈ 256 pm.
Discovering the desirable physical properties of arsenic compounds AB2As2 and their alloys: a theoretical study
Authors: Liu Diwen , Peng Huan , Sa Rongjian
Published: October 2022

The stability, elastic, electronic, and optical properties of AB2As2 (A = Ca, Sr; B = Mg, Zn, Cd) and their alloys with a trigonal CaAl2Si2-type structure are thoroughly examined for the first time based on the first-principles calculations.
Non-adiabatic dynamics in collisions of sodium and chlorine atoms and their ions
Authors: Šimsová née Zámečníková Martina , Gustafsson Magnus , Soldán Pavel
Published: October 2022

Collisions of sodium atoms with chlorine atoms and sodium cations with chloride anions are studied by non-adiabatic dynamics. Rate coefficients for mutual neutralisation, chemiionisation, and radiative association are calculated up to 5300 K.
Electrically modulated reversible dual-spin filter in zigzag β-SiC7 nanoribbons
Authors: He Jing-Jing , Guo Fang-Wen , Ni Hui-Min , Yuan Jia-Ren , Cui Wen-Dou , Lu Tian-Yi , Guo Yan-Dong , Yan Xiao-Hong
Published: October 2022

The introduced gate voltage allows β-SiC7 nanoribbons to behave as an excellent electrically modulated reversible dual spin filter with surprisingly accurate control of spin polarization.
Revealing the synergetic interaction between amino and carbonyl functional groups and their effect on the electronic and optical properties of carbon dots
Authors: Santika Arum Sinda , Permatasari Fitri Aulia , Umami Reza , Muyassiroh Diva Addini Maghribi , Irham Muhammad Alief , Fitriani Pipit , Iskandar Ferry
Published: October 2022

Nitrogen and oxygen-based functionalized carbon dots (CDs) surfaces have attracted significant attention due to their ability to tailor the optical and electronic properties of CDs.
Slice & Dice: nested spin–lattice relaxation measurements
Authors: Franks W. Trent , Tognetti Jacqueline , Lewandowski Józef R.
Published: October 2022

Slice & Dice experiment accelerates up to 2.5 times measurements of spin–lattice relaxation rates for characterizing protein dynamics by nesting 13C and 15N experiments.
High-temperature magnetic skyrmions in BiCrX3 (X = Se and Te) monolayers
Authors: Pang Jingman , Chen Zhangbing , Wang Hongjia , Zhang Meiguang , Tang Yufei , Zhang Yun
Published: October 2022

We propose BiCrX3 as a new family for hosting skyrmions. The intrinsic large SOC and inversion asymmetry lead to large DMI. The isolated skyrmions and skyrmion lattices emerge, and are robust within wide magnetic field and temperature range.
Effect of Na-ion intercalation on the thermal conductivity of carbon honeycomb nanostructure
Authors: Zhang Jingqiang , Liu Wenlu , Yang Libin , Zhou Runhua , He Wei , Liu Bo
Published: October 2022

Na-ion intercalation significantly modifies the thermal conductivity of carbon honeycomb and preserves its high anisotropy.
Multiple heteroatom substitution effect on destructive quantum interference in tripodal single-molecule junctions
Authors: Qu Fa-Yu , Zhao Zhi-Hao , Ren Xiao-Rui , Zhang Shou-Feng , Wang Lin , Wang Dong
Published: October 2022

Destructive quantum interference manipulating the electron transport in tripodal meta-linked phenyl derivatives can be modulated by adjusting the number and the position of the substituted heteroatom(s) inside the molecular core.
Strategies and challenges of carbon materials in the practical applications of lithium metal anode: a review
Authors: Jiang Zipeng , Li Ang , Meng Chenyang , Chen Xiaohong , Song Huaihe
Published: October 2022

Lithium (Li) metal is strongly considered to be the ultimate anode for next-generation high-energy-density rechargeable batteries. Carbon materials and their composites with excellent structure tunability and properties have shown great potential applications in Li metal anodes.
Fe–FeOx nanoparticles encapsulated in N-doped carbon material: a facile catalyst for selective synthesis of quinazolines from alcohols in water
Authors: Wang Fei , Zhu Fuying , Ren Enxiang , Zhang Qiang , Lu Guo-Ping , Lin Yamei
Published: October 2022

A Fe–FeOx@NC catalyst with N-doped carbon encapsulated Fe–FeOx nanoparticles has excellent performance in the synthesis of quinazolines.
Ranking the synthesizability of hypothetical zeolites with the sorting hat
Authors: Helfrecht Benjamin A. , Pireddu Giovanni , Semino Rocio , Auerbach Scott M. , Ceriotti Michele
Published: October 2022

The Zeolite Sorting Hat: a data-driven framework that identifies hypothetical silica frameworks that are promising synthetic targets, and suggests the most likely compositional class for the candidate materials.
cis-Dipyridyl porphyrin-based multicomponent organoplatinum(ii) bismetallacycles for photocatalytic oxidation
Authors: Cheng Ying , Zhang Zeyuan , Duan Xianglong , Zhang Mingming
Published: October 2022

Three organoplatinum(ii) bismetallacycles were prepared with good singlet oxygen generation efficiency, which were used for the photocatalytic oxidation reaction.
The crystal structure and luminescence properties of the first lithium oxonitridolithosilicate Li3SiNO2:Eu2+
Authors: Wimmer Daniel S. , Rießbeck Kilian M. , Seibald Markus , Baumann Dominik , Wurst Klaus , Heymann Gunter , Huppertz Hubert
Published: October 2022

Obtained by a high temperature solid-state synthesis, the compound Li3SiNO2:Eu2+ was characterized via SCXRD, PXRD, and luminescence spectroscopy. This revealed a new structure type and interesting luminescence properties.
Lignin for energy applications – state of the art, life cycle, technoeconomic analysis and future trends
Authors: Beaucamp Anne , Muddasar Muhammad , Amiinu Ibrahim Saana , Moraes Leite Marina , Culebras Mario , Latha Kenneth , Gutiérrez María C. , Rodriguez-Padron Daily , del Monte Francisco , Kennedy Tadhg , Ryan Kevin M. , Luque Rafael , Titirici Maria-Magdalena , Collins Maurice N.
Published: October 2022

Lignin in advanced energy applications: source, extraction methodolgy, structure/property relationships.
A synchronously chemically closed-loop and high-performance approach for furan-based copolyesters with robustness, high gas barriers, and high puncture resistance
Authors: Li Xing-Liang , Fu Teng , Li Zheng-Ming , Li Yao , Wang Xiu-Li , Wang Yu-Zhong
Published: October 2022

We propose a strategy for synchronously constructing chemical closed-loop and achieving high performance, enabled by the bio-based 2,5-furandicarboxylic acid, 1,4-butanediol and fossil-based by-product diethylene glycol.
Optimisation of PET glycolysis by applying recyclable heterogeneous organocatalysts
Authors: Fehér Zsuzsanna , Kiss Johanna , Kisszékelyi Péter , Molnár János , Huszthy Péter , Kárpáti Levente , Kupai József
Published: October 2022

Functionalized silica gels were applied as heterogeneous organocatalysts in PET glycolysis, and were recycled by filtration while preserving high monomer yields over five cycles.
Multi-level engineering of Saccharomyces cerevisiae for the synthesis and accumulation of retinal
Authors: Mo Qiwen , Song Wei , Xue Zheyong , Yuan Jifeng
Published: October 2022

Owing to the pharmaceutical value of retinal (vitamin A aldehyde), there is an increasing demand for the microbial synthesis of bio-based retinal.
Optimization of different sampling approaches in liquid LIBS analysis for environmental applications
Authors: Keerthi K. , George Sajan D. , Sebastian Joju George , Warrier Anish Kumar , Chidangil Santhosh , Unnikrishnan V. K.
Published: October 2022

A comprehensive analysis of different experimental strategies adapted for LIBS studies of aqueous samples.
Multielement analysis in soils using nitrogen microwave inductively coupled atmospheric-pressure plasma mass spectrometry
Authors: You Zengchao , Akkuş Aslı , Weisheit Wolfram , Giray Thorsten , Penk Sibylle , Buttler Sabine , Recknagel Sebastian , Abad Carlos
Published: October 2022

In this study, we employed nitrogen microwave inductively coupled atmospheric-pressure plasma (MICAP) combined with quadrupole mass spectrometry (MS) and a liquid sample introduction system to analyze heavy metals in soils.
Simple and sustainable synthesis of perovskite-based optoelectronic material: CsPbBr3 nanocrystals via laser ablation in alcohol
Authors: Sansoni Simone , Anoè Filippo M. , Meneghetti Moreno
Published: October 2022

Colloidal solutions of perovskite nanocrystals with good optical and emissive properties are synthesized in ambient conditions, without ligands and in green solvents.
Novel versatile europium and terbium complexes as bioprobes and anticancer agents
Authors: Felício Mário R. , Vaz Pedro D. , Nunes Carla D. , Nolasco Mariela M.
Published: October 2022

Focusing on the pertinent research on dual activity (as probes and cancer inhibitors), two novel Eu and Tb lanthanide complexes were prepared in this work alongside their binuclear counterparts holding Cu as the secondary metal.
Nicotinic acid-based cationic vectors for efficient gene delivery to glioblastoma cells
Authors: Manturthi Shireesha , Bhattacharya Dwaipayan , Sakhare Kalyani Rajesh , Narayan Kumar Pranav , Patri Srilakshmi V.
Published: October 2022

A tocopherol-conjugated nicotinic acid-based lipid (NGT) was used for liposomal formation with the co-lipid DOPE and exhibited enhanced transfection of glioblastoma cells for eGFP and β-galactosidase protein expression.
Synthesis and crystal structures of two tri- and tetra-heterometallic Ni(ii)–Mn(ii)/Ni(ii)–Co(iii) complexes from two different Ni(ii)-containing metalloligands: effective catalytic oxidase activity and Schottky device approach
Authors: Das Manik , Das Mainak , Ray Subham , Das Uttam Kumar , Laha Soumik , Ray Partha Pratim , Samanta Bidhan Chandra , Maity Tithi
Published: October 2022

The development of tri- and tetra-nuclear heterometallic Ni(ii)–Mn(ii)/Ni(ii)–Co(iii) complexes with effective catalytic oxidase activity and the Schottky device approach.
Investigation of the supercapacitor behavior of MoS2and Fe-doped MoS2nano-flowers synthesized using the hydrothermal method
Authors: Hanifehpour Younes , Abdolmaleki Mehdi , Moradi Negar , Farhood A. H. S. , Ahmadiyeh Somayeh , Allahgholipour Gholam Reza , Hosseini Javad
Published: October 2022

Flower-like nanosheets of Fe-doped MoS2with high porosity exhibit better electrochemical activities in supercapacitors.
Diaryllead(ii) species stabilized by C,O-chelating ligands
Authors: Someşan Adrian-Alexandru , Varga Richard A.
Published: October 2022

Novel plumbylenes or diplumbanes bearing C,O-chelating ligands could be obtained depending on the bulkiness of the substituents on the pendant arm.
A PPy/MoS2 core–shell heterojunction modified by carbon dots exhibits high photocatalytic antibacterial performance
Authors: Zhang Mengmeng , Han Sha , Niu Xiaohui , Li Hongxia , Zhang Deyi , Fan Haiyan , Liu Xiaoyu , Wang Kunjie
Published: October 2022

CQDs and PPy facilitate the separation of MoS2 electron–hole pairs and enhance their photocatalytic antibacterial performance.
Carbon-incorporated Ni2P–Fe2P hollow nanorods as superior electrocatalysts for the oxygen evolution reaction
Authors: Ramesh Siva Kumar , Son Jihye , Ganesan Vinoth , Kim Jinkwon
Published: October 2022

A heterostructured metal phosphide with a unique hollow morphology exhibits outstanding activity and stability for the oxygen evolution reaction.
Controlled synthesis of Ru-single-atoms on ordered mesoporous phosphine polymers for microwave-assisted conversion of biomass-derived sugars to artificial sweeteners
Authors: Modak Arindam , Gill Deepika , Mankar Akshay R. , Pant Kamal K. , Bhasin Vidha , Nayak Chandrani , Bhattacharya Saswata
Published: October 2022

Ru-single-atoms in ordered mesoporous phosphine polymers as microwave-assisted selective transfer hydrogenation catalysts for the conversion of biomass-derived xylose and glucose to sugar alcohols.
Microfluidic-assisted biomineralization of CRISPR/Cas9 in near-infrared responsive metal–organic frameworks for programmable gene-editing
Authors: Xu Xiaoyu , Liu Chang , Wang Shengyi , Mäkilä Ermei , Wang Jiali , Koivisto Oliver , Zhou Junnian , Rosenholm Jessica M. , Shu Yilai , Zhang Hongbo
Published: October 2022

A microfluidic-assisted biomineralization strategy of MOFs was constructed and utilized for CRISPR/Cas9 RNP delivery and NIR-responsive gene-editing remote control, providing a useful tool for CRISPR/Cas9-based precise biomedical therapy.
Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters
Authors: Li Qinzhen , Yang Sha , Chai Jinsong , Zhang Hui , Zhu Manzhou
Published: October 2022

Controlled diphosphine-mediated surface modification on Au23(SR)16− nanoclusters is realized. Mechanistic study shows that the size of the resulting nanoclusters can be controlled by tuning the length and configuration of diphosphines.
Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles
Authors: Chaudhry Mohammad T. , Patrick Brian O. , Akine Shigehisa , MacLachlan Mark J.
Published: October 2022

Soluble [2 + 2] Schiff-base macrocycles were synthesized, characterized by single-crystal X-ray diffraction, and investigated for their ability to bind alkali metal cations.
Facile synthesis and self-assembly behaviors of biodegradable amphiphilic hyperbranched copolymers with reducible poly(caprolactone) grafts
Authors: Zhang Xianshuo , Wang Peipei , Xu Yaoyu , Wang Jun , Shi Yunfeng , Niu Wenxu , Song Wenjing , Liu Ruru , Yu Cui-Yun , Wei Hua
Published: October 2022

A reducible hydrophobic macromonomer, HEMA-g-PCL, developed herein provides a facile yet robust strategy for biodegradable amphiphilic hyperbranched copolymers.
Graphene-based strain sensor with sandwich structure and its application in bowel sounds monitoring
Authors: Zhou Min , Yu Yin , Zhou Yi , Song Lihui , Wang Siyi , Na Di
Published: October 2022

Combining medicine and materials science. First application of graphene strain sensors for monitoring bowel sounds