bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessing environmental and radiological impacts and lithological mapping of beryl-bearing rocks in Egypt using high-resolution sentinel-2 remote sensing images
Authors: Khaleal Farrage M. , El-Bialy Mohammed Z. , Saleh Gehad M. , Lasheen El Saeed R. , Kamar Mohamed S. , Omar Mohamed M. , El-dawy Mohamed N. , Abdelaal Ahmed
Published: July 2023

Emerald and other beryls represent a family of the most valuable gemstone around the world and particularly in Egypt. Beryllium (Be) contents in beryl-bearing bedrocks in south Sinai (Wadi Ghazala and Wadi Sedri), and in central and south Eastern Desert of Egypt (Igla area, Zabara-Um Addebaa belt, Homret Akarem, and Homret Mukpid) were investigated in this study. The environmental risk levels of Be, associated major ions, and heavy metals in groundwater nearby to beryl-bearing mineralization were also evaluated. Results showed that Be contents ranged from 1 to 374 ppm in beryl-bearing bedrocks, while in nearby groundwater, Be content has a range of 0.0001–0.00044 mg/L with an average of 0.00032 mg/L, which is within the permissible levels and below (0.004) the U.S. EPA maximum contaminant level (MCL). Most levels of heavy metals (e.g., Be, B, Ni, V, Fe, and Al) in the investigated groundwater of central and south Eastern Desert and south Sinai are within the permissible levels and below their corresponding U.S. EPA MCLs. This study also investigated the radiological risk of natural radionuclides distributed in beryl-bearing bedrocks in the study area using gamma spectrometry; Sodium Iodide [NaI(Tl)] scintillation detector. Among the estimated mean 238U, 232Th, and 226Ra activity concentrations of the studied beryl-bearing rocks, Homret Mukpid (79, 87.15, 60.26 Bq kg−1) and Homret Akarem (111.6, 51.17, 85.1 Bq kg−1) contain the highest values. This may be attributed to their highly fractionated granitic rocks that host uranium and thorium reservoir minerals such as zircon, allanite, and monazite. The estimated data of multi-radiological parameters such as absorbed gamma dose, outdoor and indoor annual effective dose, radium equivalent activity, internal and external indices, index of excess cancer, and effective dose to human organs reflecting no significant impacts from the emitted natural gamma radiation.
Silver decorated lithium niobat nanostructure by UV activation method for silver–lithium niobate/silicon heterojunction device
Authors: Salim Evan T. , Khalef Wafaa K. , Fakhri Makram A. , Fadhil Rawan B. , Azzahrani Ahmad S. , Ibrahim Raed Khalid , Ismail Raid A.
Published: July 2023

Lithium niobite (LiNbO3) nanostructure were successfully synthesized by chemical bath deposition method (CBD) and then decorated with silver nitrate (AgNO3) through UV activation method at different immersion durations (5, 15, 25, 35, and 45 s). The silver nanoparticles (AgNPs) effects on the optical and structural properties were studied and analyzed using various scientific devices and technique. X-ray diffraction (XRD) results showed that all the samples have a hexagonal structure with a maximum diffraction peak at the (012), and the existence of silver atoms could be recognized at 2θ = 38.2° which corresponds to the (111) diffraction plane. The optical absorption of nanocomposites depicted the presence of plasma peak related to silver (Ag) at 350 nm. The estimated energy gap from the optical absorption revealed a reduction in the Eg value from (3.97 eV) to (3.59 eV) with the presence of Ag atom. The Photolumincence (PL) peaks were observed at around 355 nm for pure LiNbO3/Si and 358, 360, 363, 371, 476 nm for different immersion durations respectively, in the visible region of the electromagnetic spectrum. The scanning electron microscopy (SEM) study illustrated that with increasing the immersion time, especially at 45 s, a change in the particle morphology was observed (LiNbO3 NRs structure). Atomic force microscopy (AFM) displayed that the surface roughness decreases from 80.71 nm for pure sample to 23.02 nm for the decorated sample as the immersion time is increased. FT-IR manifested a noticeable increase in the intensity of the peaks of samples decorated with AgNPs. Raman spectroscopy elucidated that the peaks shifted to higher intensity due to the plasmonic effect of Ag nanoparticles. Ag–LiNbO3/Si heterojunction nano-devices were fabricated successfully and enhanced the optoelectronic properties in comparison with the pure LiNbO3/Si heterojunction device.
Identification of immune biomarkers in recent active pulmonary tuberculosis
Authors: Shaukat Sobia Naz , Eugenin Eliseo , Nasir Faizan , Khanani Rafiq , Kazmi Shahana Urooj
Published: July 2023

Tuberculosis (TB) has remained an unsolved problem and a major public health issue, particularly in developing countries. Pakistan is one of the countries with the highest tuberculosis infection rates globally. However, methods or biomarkers to detect early signs of TB infection are limited. Here,we characterized the mRNA profiles of immune responses in unstimulatedPeripheral blood mononuclear cellsobtained fromtreatment naïve patientswith early signsof active pulmonary tuberculosis without previous history of clinical TB. We identified a unique mRNA profile in active TB compared to uninfected controls, including cytokines such as IL-27, IL-15, IL-2RA, IL-24, and TGFβ, transcription factors such as STAT1 and NFATC1 and immune markers/receptors such as TLR4, IRF1, CD80, CD28, and PTGDR2 from an overall 84 different transcripts analyzed. Among 12 significant differentially expressed transcripts, we identified five gene signatures which included three upregulated IL-27, STAT1, TLR4 and two downregulated IL-24andCD80 that best discriminate between active pulmonary TB and uninfected controls with AUC ranging from 0.9 to 1. Our data identified a molecular immune signature associated with theearly stages of active pulmonary tuberculosis and it could be further investigated as a potential biomarker of pulmonary TB.
MRI evaluation of foraminal changes in the cervical spine with assistance of a novel compression device
Authors: Hutchins J. , Lagerstrand K. , Stävlid E. , Svensson P-A. , Rennerfelt K. , Hebelka H. , Brisby H.
Published: July 2023

Standard supine Magnetic Resonance Imaging (MRI) does not acquire images in a position where most patients with intermittent arm radiculopathy have symptoms. The aim of this study was to test the feasibility of a new compression device and to evaluate image quality and foraminal properties during a Spurling test under MRI acquisition. Ten asymptomatic individuals were included in the study (6 men and 4 women; age range 27 to 55 years). First, the subjects were positioned in the cervical compression device in a 3 T MRI scanner, and a volume T2 weighted (T2w) sequence was acquired in a relaxed supine position (3 min). Thereafter, the position and compressive forces on the patient’s neck (provocation position) were changed by maneuvering the device from the control room, with the aim to simulate a Spurling test, causing a mild foraminal compression, followed by a repeated image acquisition (3 min). A radiologist measured the blinded investigations evaluating cervical lordosis (C3–C7), foraminal area on oblique sagittal images and foraminal cross-distance in the axial plane. A total of three levels (C4–C7) were measured on the right side on each individual. Measurements were compared between the compressed and relaxed state. Reliability tests for inter- and intraclass correlation were performed. The device was feasible to use and well tolerated by all investigated individuals. Images of adequate quality was obtained in all patients. A significant increase (mean 9.4, p = 0.013) in the cervical lordosis and a decreased foraminal cross-distance (mean 32%, p < 0.001) was found, during the simulated Spurling test. The area change on oblique sagittal images did not reach a statistically significant change. The reliability tests on the quantitative measures demonstrated excellent intraobserver reliability and moderate to good interobserver reliability. Applying an individualized provocation test on the cervical spine, which simulates a Spurling test, during MRI acquisition was feasible with the novel device and provided images of satisfactory quality. MRI images acquired with and without compression showed changes in cervical lordosis and foraminal cross distance indicating the possibility of detecting changes of the foraminal properties. As a next step, the method is to be tested on symptomatic patients.
Genome sequencing and application of Taiwanese macaque Macaca cyclopis
Authors: Chiu Kuo-Ping , Stuart Lutimba , Ooi Hong Sain , Yu John , Smith David Glenn , Pei Kurtis Jai-Chyi
Published: July 2023

Formosan macaque (Macaca cyclopis) is the only non-human primate in Taiwan Island. We performed de novo hybrid assembly for M. cyclopis using Illumina paired-end short reads, mate-pair reads and Nanopore long reads and obtained 5065 contigs with a N50 of 2.66 megabases. M. cyclopis contigs >  = 10 kb were assigned to chromosomes using Indian rhesus macaque (Macaca mulatta mulatta) genome assembly Mmul_10 as reference, resulting in a draft of M. cyclopis genome of 2,846,042,475 bases, distributed in 21 chromosomes. The draft genome contains 23,462 transcriptional origins (genes), capable of expressing 716,231 exons in 59,484 transcripts. Genome-based phylogenetic study using the assembled M. cyclopis genome together with genomes of four other macaque species, human, orangutan and chimpanzee showed similar result as previously reported. However, the M. cyclopis species was found to diverge from Chinese M. mulatta lasiota about 1.8 million years ago. Fossil gene analysis detected the presence of gap and pol endogenous viral elements of simian retrovirus in all macaques tested, including M. fascicularis, M. m. mulatta and M. cyclopis. However, M. cyclopis showed ~ 2 times less in number and more uniform in chromosomal locations. The constrain in foreign genome disturbance, presumably due to geographical isolation, should be able to simplify genomics-related investigations, making M. cyclopis an ideal primate species for medical research.
Unsupervised abnormality detection in neonatal MRI brain scans using deep learning
Authors: Raad Jad Dino , Chinnam Ratna Babu , Arslanturk Suzan , Tan Sidhartha , Jeong Jeong-Won , Mody Swati
Published: July 2023

Analysis of 3D medical imaging data has been a large topic of focus in the area of Machine Learning/Artificial Intelligence, though little work has been done in algorithmic (particularly unsupervised) analysis of neonatal brain MRI’s. A myriad of conditions can manifest at an early age, including neonatal encephalopathy (NE), which can result in lifelong physical consequences. As such, there is a dire need for better biomarkers of NE and other conditions. The objective of the study is to improve identification of anomalies and prognostication of neonatal MRI brain scans. We introduce a framework designed to support the analysis and assessment of neonatal MRI brain scans, the results of which can be used as an aid to neuroradiologists. We explored the efficacy of the framework through iterations of several deep convolutional Autoencoder (AE) unsupervised modeling architectures designed to learn normalcy of the neonatal brain structure. We tested this framework on the developing human connectome project (dHCP) dataset with 97 patients that were previously categorized by severity. Our framework demonstrated the model’s ability to identify and distinguish subtle morphological signatures present in brain structures. Normal and abnormal neonatal brain scans can be distinguished with reasonable accuracy, correctly categorizing them in up to 83% of cases. Most critically, new brain anomalies originally missed during the radiological reading were identified and corroborated by a neuroradiologist. This framework and our modeling approach demonstrate an ability to improve prognostication of neonatal brain conditions and are able to localize new anomalies.
A randomised controlled test of emotional attributes of a virtual coach within a virtual reality (VR) mental health treatment
Authors: Wei Shu , Freeman Daniel , Rovira Aitor
Published: July 2023

We set out to test whether positive non-verbal behaviours of a virtual coach can enhance people's engagement in automated virtual reality therapy. 120 individuals scoring highly for fear of heights participated. In a two-by-two factor, between-groups, randomised design, participants met a virtual coach that varied in warmth of facial expression (with/without) and affirmative nods (with/without). The virtual coach provided a consultation about treating fear of heights. Participants rated the therapeutic alliance, treatment credibility, and treatment expectancy. Both warm facial expressions (group difference = 7.44 [3.25, 11.62], p = 0.001, $${eta}_{p}^{2}$$

eta

p

2

=0.10) and affirmative nods (group difference = 4.36 [0.21, 8.58], p = 0.040, $${eta}_{p}^{2}$$

eta

p

2

= 0.04) by the virtual coach independently increased therapeutic alliance. Affirmative nods increased the treatment credibility (group difference = 1.76 [0.34, 3.11], p = 0.015, $${eta}_{p}^{2}$$

eta

p

2

= 0.05) and expectancy (group difference = 2.28 [0.45, 4.12], p = 0.015, $${eta}_{p}^{2}$$

eta

p

2

= 0.05) but warm facial expressions did not increase treatment credibility (group difference = 0.64 [− 0.75, 2.02], p = 0.363, $${eta}_{p}^{2}$$

eta

p

2

= 0.01) or expectancy (group difference = 0.36 [− 1.48, 2.20], p = 0.700, $${eta}_{p}^{2}$$

eta

p

2

= 0.001). There were no significant interactions between head nods and facial expressions in the occurrence of therapeutic alliance (p = 0.403, $${eta}_{p}^{2}$$

eta

p

2

= 0.01), credibility (p = 0.072, $${eta}_{p}^{2}$$

eta

p

2

= 0.03), or expectancy (p = 0.275, $${eta}_{p}^{2}$$

eta

p

2

= 0.01). Our results demonstrate that in the development of automated VR therapies there is likely to be therapeutic value in detailed consideration of the animations of virtual coaches.
Solid-to-solid polymorphic phase transitions in two isostructural Bi(III) complexes with 1-phenylethyl-N-ethylthiosemicarbazide and halogens
Authors: Grześkiewicz Anita M. , Dutkiewicz Grzegorz , Aygun Ozlem , Ozturk Ibrahim I. , Kubicki Maciej
Published: July 2023

Two isostructural (in room temperature) complexes of Bi(III) with halogens and sulfur ligands have been investigated in terms of the solid-to-solid phase transitions indicated by temperature. Both chloride and bromide (X) complexes of the general formula (µ2-X)-(BiX2L2)2 exhibit some phase transitions between 100 and 333 K, which, apart from the numerous similarities, show significant differences, which have been noted and analyzed in detail in this paper by using different techniques, i.e., powder and single crystal diffraction or DSC. The obtained results have also been collated with those obtained for solid solutions of both complexes.
The accuracy and safety of intraoperative ultrasound-guided external ventricular drainage in intraventricular hemorrhage
Authors: Zhang Lijun , Mu Zhaohui , Shen Guoliang , Yang Ming
Published: July 2023

Severe IVH often results in a poor outcome. Currently, EVD is a standard treatment for IVH, but there is little research to show whether using ultrasound to guide the catheter placement improves outcome. Patients with severe IVH who had iUS-guided EVD (the iUS-guided group) were enrolled retrospectively and compared with a group who had EVD performed without ultrasound guidance (the control group) from January 2016 to July 2022. Data were collected on accuracy of the catheter placement, complications and outcome at 3 months assessed by mRS. The accuracy of the EVD placement was classified as optimal placement, sub-optimal placement and misplacement according to the position of the catheter tip. The complications reported are catheter-related hemorrhage, intracranial infection and hydrocephalus. There were 105 cases enrolled, with 72 patients in the iUS-guided group having 131 catheters inserted and 33 patients in the group where ultrasound was not used with a total of 59 catheters. 116 (88.55%) were optimally placed, 12 (9.16%) sub-optimal and 3 (2.29%) misplaced in the iUS-guided group, while 25 (42.37%) were in optimally placed, 30 (50.85%) sub-optimal and 4(6.78%) misplaced in the control group. Accuracy of placement was highly significantly improved using ultrasound (P < 0.001). The operation time and the average catheterized time were longer in the iUS-guided group (P < 0.05), but the complication rates were no different between the groups. The mRS at three months was not significantly different between the two groups. Using iUS to place EVD catheters in patients with severe IVH is a safe technique delivering more accurate catheter placement without increasing the complication rate compared with freehand placement.
Gain-of-function p53R175H blocks apoptosis in a precursor model of ovarian high-grade serous carcinoma
Authors: Haagsma Jacob , Kolendowski Bart , Buensuceso Adrian , Valdes Yudith Ramos , DiMattia Gabriel E. , Shepherd Trevor G.
Published: July 2023

Ovarian high-grade serous carcinoma (HGSC) is a highly lethal malignancy for which early detection is a challenge and treatment of late-stage disease is ineffective. HGSC initiation involves exfoliation of fallopian tube epithelial (FTE) cells which form multicellular clusters called spheroids that colonize and invade the ovary. HGSC contains universal mutation of the tumour suppressor gene TP53. However, not all TP53 mutations are the same, as specific p53 missense mutants contain gain-of-function (GOF) properties that drive tumour formation. Additionally, the role of GOF p53 in spheroid-mediated spread is poorly understood. In this study, we developed and characterized an in vitro model of HGSC based on mutation of TP53 in mouse oviductal epithelial cells (OVE). We discovered increased bulk spheroid survival and increased anchorage-independent growth in OVE cells expressing the missense mutant p53R175H compared to OVE parental and Trp53ko cells. Transcriptomic analysis on spheroids identified decreased apoptosis signaling due to p53R175H. Further assessment of the apoptosis pathway demonstrated decreased expression of intrinsic and extrinsic apoptosis signaling molecules due to Trp53 deletion and p53R175H, but Caspase-3 activation was only decreased in spheroids with p53R175H. These results highlight this model as a useful tool for discovering early HGSC transformation mechanisms and uncover a potential anti-apoptosis GOF mechanism of p53R175H.
Impact of trap-related non-idealities on the performance of a novel TFET-based biosensor with dual doping-less tunneling junction
Authors: Cherik Iman Chahardah , Mohammadi Saeed
Published: July 2023

This article presents a novel dielectric-modulated biosensor based on a tunneling field-effect transistor. It comprises a dual doping-less tunneling junction that lies above an n+ drain region. By employing the wet-etching technique, two cavities are carved in the gate dielectric, and with the entry of various biomolecules into the cavities, the electrostatic integrity of the gate changes, accordingly. Numerical simulations, carried out by the Silvaco ATLAS device simulator, show that including trap-assisted tunneling significantly modulate the biosensor's main parameters, such as on-state current, subthreshold swing, and transconductance and their corresponding sensitivities. We also evaluate the effect of semi-filled cavities on our proposed biosensor’s performance with various configurations. The FOMs like Ion/Ioff = 2.04 × 106, $${S}_{{I}_{ds}}$$

S

I

ds

=1.48 × 105, and $${S}_{SS}$$

S

SS

=0.61 in the presence of TAT show that our proposed biosensor has a promising performance.
Adaptative response to changes in pyruvate metabolism on the epigenetic landscapes and transcriptomics of bovine embryos
Authors: da Fonseca Junior Aldcejam Martins , Ispada Jessica , dos Santos Erika Cristina , de Lima Camila Bruna , da Silva João Vitor Alcantara , Paulson Erika , Goszczynski Daniel Estanislao , Goissis Marcelo Demarchi , Ross Pablo Juan , Milazzotto Marcella Pecora
Published: July 2023

The epigenetic reprogramming that occurs during the earliest stages of embryonic development has been described as crucial for the initial events of cell specification and differentiation. Recently, the metabolic status of the embryo has gained attention as one of the main factors coordinating epigenetic events. In this work, we investigate the link between pyruvate metabolism and epigenetic regulation by culturing bovine embryos from day 5 in the presence of dichloroacetate (DCA), a pyruvate analog that increases the pyruvate to acetyl-CoA conversion, and iodoacetate (IA), which inhibits the glyceraldehyde-3-phosphate dehydrogenase (GAPDH), leading to glycolysis inhibition. After 8 h of incubation, both DCA and IA-derived embryos presented higher mitochondrial membrane potential. Nevertheless, in both cases, lower levels of acetyl-CoA, ATP-citrate lyase and mitochondrial membrane potential were found in blastocysts, suggesting an adaptative metabolic response, especially in the DCA group. The metabolic alteration found in blastocysts led to changes in the global pattern of H3K9 and H3K27 acetylation and H3K27 trimethylation. Transcriptome analysis revealed that such alterations resulted in molecular differences mainly associated to metabolic processes, establishment of epigenetic marks, control of gene expression and cell cycle. The latter was further confirmed by the alteration of total cell number and cell differentiation in both groups when compared to the control. These results corroborate previous evidence of the relationship between the energy metabolism and the epigenetic reprogramming in preimplantation bovine embryos, reinforcing that the culture system is decisive for precise epigenetic reprogramming, with consequences for the molecular control and differentiation of cells.
Sacubitril/valsartan mitigates cardiac remodeling, systolic dysfunction, and preserves mitochondrial quality in a rat model of mitral regurgitation
Authors: Tantisuwat Lalida , Saengklub Nakkawee , Boonpala Pakit , Kumphune Sarawut , Panyasing Yaowalak , Kalandakanond-Thongsong Sarinee , Kijtawornrat Anusak
Published: July 2023

Sacubitril/valsartan (SAC/VAL), an angiotensin receptor blocker-neprilysin inhibitor, has been widely used to treat several types of heart failure. Nevertheless, the effects of drugs in mitral regurgitation patients, from the molecular level to therapeutic effects, remain unclear. This study investigates the roles of SAC/VAL on cardiac function, mitochondrial quality, autophagy, mitophagy, and natriuretic peptides in a rat model of chronic mitral regurgitation. Male Sprague–Dawley rats underwent MR induction (n = 16) and sham surgeries (n = 8). Four weeks post-surgery confirmed MR rats were randomly divided into MR (n = 8) and SAC/VAL (n = 8) groups. The SAC/VAL group was administered SAC/VAL, whereas the MR and the sham rats received vehicle via oral gavage daily for 8 weeks. Cardiac geometry, function, and myocardial fibrosis were assessed by echocardiography and histopathology. Spectrophotometry and real-time PCR were performed to assess the pharmacological effects on mitochondrial quality, autophagy, mitophagy, and natriuretic peptides. MR rats demonstrated significant left heart dilation and left ventricular systolic dysfunction compared with the sham group, which could be significantly improved by SAC/VAL. In addition, SAC/VAL significantly reduced myocardial cardiac remodeling and fibrosis in MR rats. SAC/VAL improved the mitochondrial quality by attenuating mitochondrial reactive oxygen species production and mitochondrial depolarization compared with the MR group. Also, the upregulation of autophagy-related, mitophagy-related, and natriuretic peptide system gene expression in MR rats was attenuated by SAC/VAL treatment. In conclusion, this study demonstrated that SAC/VAL treatment could provide numerous beneficial effects in MR conditions, suggesting that this drug may be an effective treatment for MR.
Comparison of various flow maldistribution quantification methods in mini heat exchangers
Authors: Dąbrowski Paweł
Published: July 2023

The aim of study is to compare various flow maldistribution quantification methods, using velocity, mass flow rate, pressure, and temperature. An experimentally validated numerical study has been prepared and a heat exchanger with 34 semi-circular channels with a diameter of 3.1 mm has been tested. The minichannels were heated from the bottom with a heat flux of 50, 60, 70, and 80 kW/m2. The cases for various inlet velocities of 0.1, 0.2, 0.3, and 0.4 m/s have been tested. It results in a total of 16 cases with various heat flux and various inlet velocities of the water. Then, for every 16 cases, the flow maldistribution coefficients, widely used in the literature, have been calculated based on the velocity, pressure, and temperature profiles. The study shows that every method gives other results of the same parameter that should define the flow distribution in the heat exchanger in the same way. Hence, the ambiguities of fluid distribution conclusions in heat exchangers that can be found in the literature may be caused by a different interpretation of the flow maldistribution coefficient. A normalized flow maldistribution coefficient that gives the same results for all thermohydraulic parameters used has been proposed.
Modulation of physicochemical properties and antimicrobial activity of sodium alginate films through the use of chestnut extract and plasticizers
Authors: Janik Weronika , Nowotarski Michał , Ledniowska Kerstin , Shyntum Divine Yufetar , Krukiewicz Katarzyna , Turczyn Roman , Sabura Ewa , Furgoł Simona , Kudła Stanisław , Dudek Gabriela
Published: July 2023

Due to the growing demand for robust and environmentally friendly antimicrobial packaging materials, biopolymers have recently become extensively investigated. Although biodegradable biopolymers usually lack mechanical properties, which makes it inevitable to blend them with plasticizers. The purpose of this study was to investigate plasticization efficiency of bio-based plasticizers introduced into sodium alginate compositions containing chestnut extract and their effect on selected film properties, including primarily mechanical and antibacterial properties. The films were prepared by the casting method and sodium alginate was cross-linked with calcium chloride. Six different plasticizers, including three commercially available ones (glycerol, epoxidized soybean oil and palm oil) and three synthesized plasticizers that are mixtures of bio-based plasticizers, were used to compare their influence on the film properties. Interactions between the polymer matrix and the plasticizers were investigated using Fourier transform infrared spectroscopy. The morphological characteristics of the films were characterized by scanning electron microscopy. Thermal properties, tensile strength, elongation at break, hydrophilic, and barrier properties of the obtained films were also determined. To confirm the obtaining of active films through the use of chestnut extract and to study the effect of the proposed plasticizers on the antibacterial activity of the extract, the obtained films were tested against bacteria cultures. The final results showed that all of the obtained films exhibit a hydrophilic character and high barrier effect to oxygen, carbon dioxide and water vapor. In addition, sodium alginate films prepared with chestnut extract and the plasticizer proposed by us, showed better mechanical and antimicrobial properties than the films obtained with chestnut extract and the commercially available plasticizers.
Global response of upper-level aviation turbulence from various sources to climate change
Authors: Kim Soo-Hyun , Kim Jung-Hoon , Chun Hye-Yeong , Sharman Robert D.
Published: July 2023

Atmospheric turbulence at commercial aircraft cruising altitudes is a main threat to aviation safety worldwide. As the air transport industry expands and is continuously growing, investigating global response of aviation turbulence under climate change scenarios is required for preparing optimal and safe flying plans for the future. This study examines future frequencies of moderate-or-greater-intensity turbulence generated from various sources, viz., clear-air turbulence and mountain-wave turbulence that are concentrated in midlatitudes, and near-cloud turbulence that is concentrated in tropics and subtropics, using long-term climate model data of high-emissions scenario and historical condition. Here, we show that turbulence generated from all three sources is intensified with higher occurrences globally in changed climate compared to the historical period. Although previous studies have reported intensification of clear-air turbulence in changing climate, implying bumpier flights in the future, we show that intensification of mountain-wave turbulence and near-cloud turbulence can also be expected with changing climate.
Arousal state transitions occlude sensory-evoked neurovascular coupling in neonatal mice
Authors: Gheres Kyle W. , Ünsal Hayreddin S. , Han Xu , Zhang Qingguang , Turner Kevin L. , Zhang Nanyin , Drew Patrick J.
Published: July 2023

In the adult sensory cortex, increases in neural activity elicited by sensory stimulation usually drive vasodilation mediated by neurovascular coupling. However, whether neurovascular coupling is the same in neonatal animals as adults is controversial, as both canonical and inverted responses have been observed. We investigated the nature of neurovascular coupling in unanesthetized neonatal mice using optical imaging, electrophysiology, and BOLD fMRI. We find in neonatal (postnatal day 15, P15) mice, sensory stimulation induces a small increase in blood volume/BOLD signal, often followed by a large decrease in blood volume. An examination of arousal state of the mice revealed that neonatal mice were asleep a substantial fraction of the time, and that stimulation caused the animal to awaken. As cortical blood volume is much higher during REM and NREM sleep than the awake state, awakening occludes any sensory-evoked neurovascular coupling. When neonatal mice are stimulated during an awake period, they showed relatively normal (but slowed) neurovascular coupling, showing that that the typically observed constriction is due to arousal state changes. These result show that sleep-related vascular changes dominate over any sensory-evoked changes, and hemodynamic measures need to be considered in the context of arousal state changes.
Structure and assembly of the NOT10:11 module of the CCR4-NOT complex
Authors: Levdansky Yevgen , Raisch Tobias , Deme Justin C. , Pekovic Filip , Elmlund Hans , Lea Susan M. , Valkov Eugene
Published: July 2023

NOT1, NOT10, and NOT11 form a conserved module in the CCR4-NOT complex, critical for post-transcriptional regulation in eukaryotes, but how this module contributes to the functions of the CCR4-NOT remains poorly understood. Here, we present cryo-EM structures of human and chicken NOT1:NOT10:NOT11 ternary complexes to sub-3 Å resolution, revealing an evolutionarily conserved, flexible structure. Through biochemical dissection studies, which include the Drosophila orthologs, we show that the module assembly is hierarchical, with NOT11 binding to NOT10, which then organizes it for binding to NOT1. A short proline-rich motif in NOT11 stabilizes the entire module assembly.
Toxicology knowledge graph for structural birth defects
Authors: Evangelista John Erol , Clarke Daniel J. B. , Xie Zhuorui , Marino Giacomo B. , Utti Vivian , Jenkins Sherry L. , Ahooyi Taha Mohseni , Bologa Cristian G. , Yang Jeremy J. , Binder Jessica L. , Kumar Praveen , Lambert Christophe G. , Grethe Jeffrey S. , Wenger Eric , Taylor Deanne , Oprea Tudor I. , de Bono Bernard , Ma’ayan Avi
Published: July 2023

Background

Birth defects are functional and structural abnormalities that impact about 1 in 33 births in the United States. They have been attributed to genetic and other factors such as drugs, cosmetics, food, and environmental pollutants during pregnancy, but for most birth defects there are no known causes.

Methods

To further characterize associations between small molecule compounds and their potential to induce specific birth abnormalities, we gathered knowledge from multiple sources to construct a reproductive toxicity Knowledge Graph (ReproTox-KG) with a focus on associations between birth defects, drugs, and genes. Specifically, we gathered data from drug/birth-defect associations from co-mentions in published abstracts, gene/birth-defect associations from genetic studies, drug- and preclinical-compound-induced gene expression changes in cell lines, known drug targets, genetic burden scores for human genes, and placental crossing scores for small molecules.

Results

Using ReproTox-KG and semi-supervised learning (SSL), we scored >30,000 preclinical small molecules for their potential to cross the placenta and induce birth defects, and identified >500 birth-defect/gene/drug cliques that can be used to explain molecular mechanisms for drug-induced birth defects. The ReproTox-KG can be accessed via a web-based user interface available at https://maayanlab.cloud/reprotox-kg. This site enables users to explore the associations between birth defects, approved and preclinical drugs, and all human genes.

Conclusions

ReproTox-KG provides a resource for exploring knowledge about the molecular mechanisms of birth defects with the potential of predicting the likelihood of genes and preclinical small molecules to induce birth defects.
Surface functionality of sub- to full-monolayer organic coverage of water aerosols determined by molecular dynamics simulations
Authors: Stewart Aisling C. , Paterson Martin J. , Greaves Stuart J.
Published: July 2023

How surface coverage affects the structure and accessibility of reactive groups in organic-on-water aerosols.
Surface passivation of hematite photoanodes using iron phosphate
Authors: Parveh Fatemeh , Yourdkhani Amin , Poursalehi Reza
Published: July 2023

Deposition of passive layers containing covalently bonded oxygen is an effective strategy to suppress the surface states of α-Fe2O3(hematite).
Glucose sandwich assay based on surface-enhanced Raman spectroscopy
Authors: Zhang Tingting , Lu Rui , Wang Gongying , Sun Xiuyun , Li Jiansheng , Mizaikoff Boris
Published: July 2023

A sandwich assay format was developed to detect glucose in a simple, sensitive and selective manner. Using SERS-based glucose sandwich assays, the utility, specificity and sensitivity of this strategy was demonstrated.
Identification of bacteria in mixed infection from urinary tract of patient's samples using Raman analysis of dried droplets
Authors: Aubrechtová Dragounová Kateřina , Ryabchykov Oleg , Steinbach Daniel , Recla Vincent , Lindig Nora , González Vázquez María José , Foller Susan , Bauer Michael , Bocklitz Thomas W. , Popp Jürgen , Rödel Jürgen , Neugebauer Ute
Published: July 2023

Raman spectroscopy approach based on dried droplets, for mixed UTI bacterial pathogens identification.
Biomineral-binding liposomes with dual antibacterial effects for preventing and treating dental caries
Authors: Luo Zhongling , Lin Yan , Zhou Xiaoling , Yang Lingling , Zhang Zijun , Liu Zerong , Zhou Meiling , Jiang Jun , Wu Jianming , Liu Zhongbing , Jing Pei , Zhong Zhirong
Published: July 2023

Liposomes co-loaded with Mag and FLC were modified with pyrophosphate ions (PPis) to construct a dual drug delivery system that binds strongly to hydroxyapatite for the prevention and treatment of dental caries.
Thermosensitive biomaterial gels with chemical permeation enhancers for enhanced microneedle delivery of naltrexone for managing opioid and alcohol dependency
Authors: Tobin Kevin V. , Brogden Nicole K.
Published: July 2023

Naltrexone (NTX) can be transdermally delivered using microneedles (MN) to treat opioid and alcohol misuse disorders, but delivery is blunted by rapid in vivo micropore closure.
Regulation of the surface activity of carbon anodes for rationalization of potassium storage
Authors: Yuan Xiaozhi , Xiong Yuli , Liu Yu , Wei Xijun , Wei Feng , Wang Menglei , Cao Yang , Tao Gang , Zhang Qingchun , Wan Qi , Song Yingze
Published: July 2023

Well-designed carbon anodes originating from a MgO-template approach and annealing regulation were featured by ample defect sites and interfaces, thereby leading to increased electrochemical functions for guiding K-ion evolution behavior.
Cyclodextrin-induced phase transformation of cesium copper bromide perovskite
Authors: Luo Yi-Xin , Li Guo-Wu , Mo Zhi-Hong
Published: July 2023

Ligand-induced phase transformation of lead-free perovskites is demonstrated for the first time by exfoliating zero-dimensional Cs3Cu2Br5 to form one-dimensional CsCu2Br3 using cyclodextrin.
A facile synthesis of a copper(i) thiourea sulphate complex and its application for highly efficient chalcopyrite solar cells
Authors: Wei Shuxia , Ma Chengfeng , Liu Xinge , Liu Naiyun , Yuan Mingjun , Xiao Kang , Yan Weibo , Xin Hao
Published: July 2023

A copper complex [Cu((NH2)2CS)3]2SO4·H2O synthesized through a redox reaction between Cu(CH3COO)2·H2O and (NH2)2CS achieves a 12.2% efficient chalcopyrite CuIn(S,Se)2 thin film solar cell when used as a copper precursor in dimethylformamide solution.
SOx-modified porous carbon as a highly active electrocatalyst for efficient H2O2 generation
Authors: Jiang Kunhong , Li Zhenyu , Yu Ying , Li Jiefei , Ma Zhuoyuan , Wei Hang , Chu Haibin
Published: July 2023

An SOx-decorated porous carbon electrocatalyst with excellent 2e− ORR activity and stability is prepared via a UV-curving technology-assisted synthetic strategy.
Quantitative prediction of excited-state decay rates for radical anion photocatalysts
Authors: Mena Leandro D. , Borioni José L. , Caby Sofia , Enders Patrick , Argüello Cordero Miguel A. , Fennel Franziska , Francke Robert , Lochbrunner Stefan , Bardagi Javier I.
Published: July 2023

We present a computational approach for predicting key properties of organic radical anions, including excited-state lifetimes and redox potentials.
Chromium doping enabled improvement in alkaline seawater oxidation over cobalt carbonate hydroxide nanowire array
Authors: Zhang Min , He Xun , Dong Kai , Zhang Hui , Yao Yongchao , Yang Chaoxin , Yue Meng , Sun Shengjun , Sun Yuntong , Zheng Dongdong , Luo Yongsong , Liu Qian , Li Na , Tang Bo , Liu Jun , Sun Xuping
Published: July 2023

Cr-CoCH/NF serves as a highly efficient electrocatalyst for the oxygen evolution reaction, capable of achieving a large current density of 500 mA cm−2with an overpotential of 450 mV and maintaining 200 h electrolytic tolerance in alkaline seawater.
Selective synthesis of boron-substituted enynesviaa one-pot diboration/protodeboration sequence
Authors: Szyling Jakub , Szymańska Aleksandra , Walkowiak Jędrzej
Published: July 2023

Straightforward access to enynyl pinacol boronatesviaa one-pot selective diboration/protodeboration strategy.
Pyramidanes: newcomers to the anti-van’t Hoff–Le Bel family
Authors: Lee Vladimir Ya. , Gapurenko Olga A.
Published: July 2023

Latest advances in the chemistry of pyramidanes, a novel type of the polyhedral clusters featuring main group element at the inverted tetrahedral apical position, are overviewed, highlighting their synthetic strategies and specific reactivity.
Real-time visualization of sulfatase in living cells and in vivo with a ratiometric AIE fluorescent probe
Authors: Chen Yanli , Shi Wenhui , Xu Yanqi , Wang Peng
Published: July 2023

A ratiometric fluorescent probe featuring AIE properties was developed for monitoring sulfatase in living cells and in vivo.
Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid
Authors: Rapeenun Peerapon , Nalaoh Phattananawee , Promarak Vinich , Flood Adrian E.
Published: July 2023

Three novel salt forms of ciprofloxacin with oxalic acid have been created to improve drug solubility.
Effect of long range interactions on the reduction of divalent ions inN,O-chelating solvents
Authors: Bakulin I. K. , Orekhov M. A.
Published: July 2023

Long range ion/solvent and ion/electrode interactions significantly affect the reduction of ions.
Origin of stronger binding of ionic pair (IP) inhibitor to Aβ42 than the equimolar neutral counterparts: synergy mechanism of IP in disrupting Aβ42 protofibril and inhibiting Aβ42 aggregation under two pH conditions
Authors: Xu Wen , Mei Jinfei , Wang Chuanbo , Yang Huijuan , Ma Xiaohong , Gao Wenqi , Ahmad Sajjad , Ai Hongqi
Published: July 2023

At pH 7.0, Aβ oligomer (AβP or AβF) acts as a galvanic battery for a dual inhibitor composed of a pair of positive and negative ions to exert an extraordinary inhibition/disaggregation effect on it by a unique synergistic mechanism.
Thermodynamic properties of LiNiO2, LiCoO2, and LiMnO2 using density-functional theory
Authors: Tosin Paese Lucas , Zeller Philippe , Chatain Sylvie , Guéneau Christine
Published: July 2023

The thermodynamic properties of LiMO2 compounds (M = Ni, Co, Mn) were obtained with DFT calculations without adjustable or empirical parameters.
Radicals in aqueous solution: assessment of density-corrected SCAN functional
Authors: Belleflamme Fabian , Hutter Jürg
Published: July 2023

Comparison of radial distribution functions using r2SCAN and nearly self-interaction-free DC-r2SCAN, highlighting the absence of hemibonded configurations in the latter.
Unveiling the double triplet nature of the 2Ag state in conjugated stilbenoid compounds to achieve efficient singlet fission
Authors: Mencaroni Letizia , Alebardi Martina , Elisei Fausto , Škorić Irena , Spalletti Anna , Carlotti Benedetta
Published: July 2023

The ultrafast 1Bu to Ag conversion was identified as the first step of singlet fission in a series of stilbenoids. The spectral comparison of the 2Ag and T1 ESA bands provided an insight into the binding energy within the correlated triplet pair.
Modelling the effects of E/Z photoisomerization of a cyclocurcumin analogue on the properties of cellular lipid membranes
Authors: Delova Anastasiia , Losantos Raul , Pecourneau Jérémy , Mourer Maxime , Pasc Andreea , Monari Antonio
Published: July 2023

We study a cyclocurcumin analogue interacting with lipid membranes. The formation of stable membrane aggregates is confirmed as well as the perturbation induced by E/Z isomerization, thus making it a good candidate for light-induced chemotherapy.
Brown carbon absorptivity in fresh wildfire smoke: associations with volatility and chemical compound groups
Authors: Shetty Nishit , Liu Pai , Liang Yutong , Sumlin Benjamin , Daube Conner , Herndon Scott , Goldstein Allen H. , Chakrabarty Rajan K.
Published: July 2023

Brown carbon light absorptivity is associated with organic aerosol volatility and elemental carbon concentrations.
[3 + 2] Cycloaddition of azides with arynes formedviaC–H deprotonation of aryl sulfonium salts
Authors: Gu Xing-Wei , Zhao Yan-Hua , Wu Xiao-Feng
Published: July 2023

Herein, we developed a new methodology of using aryl sulfonium salts as the aryne precursor for [3 + 2] cycloaddition reactions with azides.
Reducing sample amount for forensic glass analysis using LA-ICP-TOFMS and multivariate statistics
Authors: Becker Pascal , Günther Detlef
Published: July 2023

A method is presented to reduce the required sample size of forensic glass evidence using single pulse analysis and multivariate statistics.
2023 atomic spectrometry update – a review of advances in X-ray fluorescence spectrometry and its special applications
Authors: Vanhoof Christine , Bacon Jeffrey R. , Fittschen Ursula E. A. , Vincze Laszlo
Published: July 2023

This review covers developments in and applications of XRF techniques such as EDXRF, WDXRF, TXRF, XRF microscopy using technologies such as synchrotron sources, X-ray optics, X-ray tubes and detectors in laboratory, mobile and hand-held systems.
Preparation of citric acid/porous starch composite adsorbents and their adsorption studies
Authors: Zheng Yangyang , He Ye , Liu Chang , Song Leqian , Zhang Huacheng
Published: July 2023

Citric acid (CA)-based polymeric adsorbent materials were fully characterized and analyzed for the adsorption treatment of methylene blue (MB). Also, the effects of various factors on their performance were thoroughly examined.
Delving into the multifunctionality of Sr2NaMg2V3O12via RE3+ substitution for dual-mode temperature sensing, latent fingerprint detection and security inks
Authors: Bindhu Amrithakrishnan , Naseemabeevi Jawahar Isuhak , Ganesanpotti Subodh
Published: July 2023

Multifunctionality of vanadate garnet phosphors in latent fingerprint detection, security inks, and dual-mode temperature sensing.
Ultrathin materials for wide bandwidth laser ultrasound generation: titanium dioxide nanoparticle films with adsorbed dye
Authors: Pinto Tiago B. , Pinto Sara M. A. , Piedade Ana P. , Serpa Carlos
Published: July 2023

Strong absorption in a thin nanostructured layer enables photoacoustic generation of wide ultrasound bandwidths with nanosecond/picosecond lasers, improving imaging, sensing, or interaction with biological membranes.
Highly dispersed Ni nanoparticles supported by porous Al2O3rods for catalytic dry reforming of methane
Authors: Sheng KeFa , Cui Kai
Published: July 2023

Highly dispersed Ni–Al2O3catalysts showed long-term stability for catalytic dry reforming of methane.
Regulation of internal reorganization energy to change the non-radiative channel in the Ir(iii) complex: the role of N atoms
Authors: Tang Lingkai , Gao Jiaxing , Luo Yafei , Cheng Yan , Liu Ling , Zheng Dan , Liang Li , Hu Jianping , Luo Ting
Published: July 2023

This study examines the influence of ligands with different N-substitution modes and heavy atom effects on transition metal complexes.
Determination of selenium by gas chromatography-mass spectrometry after formation of its volatile derivative and preconcentration using vortex-assisted dispersive liquid–liquid microextraction
Authors: Topal Serkan , Öner Miray , Zaman Buse Tuğba , Demir Cansu , Turak Fatma , Günkara Ömer Tahir , Bakırdere Sezgin
Published: July 2023

Vortex assisted dispersive liquid–liquid microextraction was proposed for the determination of selenium by gas chromatography-mass spectrometry after the formation of its volatile derivative with o-phenylenediamine (Se-PDA-FVD) in lake water samples.
A facile synthesis of CuZrO2 nanoparticle functionalized chitosan for capable and stable non-enzymatic electrochemical detection of glucose and H2O2
Authors: Madhaiyan Ramesh , Chinnusamy Sankar , Seeman Umamatheswari , Ramasamy Jayavel
Published: July 2023

Mixed transition metal oxides and organic polymers are receiving a lot of interest because of their positive characteristics, such as high permeability, large specific surface area, and ion dispersion paths.
A theoretical study of the gas-phase reactions of propadiene with NO3: mechanism, kinetics and insights
Authors: Wang Haomin , Zhao Meilian , Zuo Qiwen , Liu Mingxing , He Xinyu , Wang Zhiguo , Sun Yuxi , Song Ruojing , Zhang Yunju
Published: July 2023

In this study, the conversion mechanisms and kinetics of propadiene (CH2CCH2) induced by NO3 were researched using density functional theory (DFT) and transition state theory (TST) measurements.
Nanoparticle-based drug delivery systems targeting cancer cell surfaces
Authors: Hong Liquan , Li Wen , Li Yang , Yin Shouchun
Published: July 2023

This review focuses on the research progress of various receptors overexpressed on the surface of cancer cells and different nano-delivery systems of anticancer drugs targeted on the surface of cancer cells.
A ratiometric electrochemical probe for the quantification of apixaban in unprocessed plasma samples using carbon aerogel/BFO modified glassy carbon electrodes
Authors: Shahbazi-Derakhshi Payam , Abbasi Mohammad , Akbarzadeh Amirhossein , Mokhtarzadeh Ahad , Hosseinpour Hamid , Soleymani Jafar
Published: July 2023

A novel electrochemical probe was established for the quantification of apixaban (APX) in unprocessed plasma samples.