bluuebunny/crossref_metadata_2025 huggingface dataset:
Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules
Authors: Lupo Pasini Massimiliano , Mehta Kshitij , Yoo Pilsun , Irle Stephan
Published: August 2023

We present two open-source datasets that provide time-dependent density-functional tight-binding (TD-DFTB) electronic excitation spectra of organic molecules. These datasets represent predictions of UV-vis absorption spectra performed on optimized geometries of the molecules in their electronic ground state. The GDB-9-Ex dataset contains a subset of 96,766 organic molecules from the original open-source GDB-9 dataset. The ORNL_AISD-Ex dataset consists of 10,502,904 organic molecules that contain between 5 and 71 non-hydrogen atoms. The data reveals the close correlation between the magnitude of the gaps between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), and the excitation energy of the lowest singlet excited state energies quantitatively. The chemical variability of the large number of molecules was examined with a topological fingerprint estimation based on extended-connectivity fingerprints (ECFPs) followed by uniform manifold approximation and projection (UMAP) for dimension reduction. Both datasets were generated using the DFTB+ software on the “Andes” cluster of the Oak Ridge Leadership Computing Facility (OLCF).
A Data Set of Signals from an Antenna for Detection of Partial Discharges in Overhead Insulated Power Line
Authors: Klein Lukáš , Fulneček Jan , Seidl David , Prokop Lukáš , Mišák Stanislav , Dvorský Jiří , Piecha Marian
Published: August 2023

We introduce a data set obtained via a contactless antenna method for detecting partial discharges in XLPE-covered conductors used in medium-voltage overhead power transmission lines. The data set consists of almost three years’ worth of data, collected every hour from 9 measuring stations in Czechia and Slovakia. Each sample in the data set represents a single signal gathered for 20 ms. The contactless method is deployed on the same stations as the galvanic contact method, which is used by power distributors and can provide ground truth. Also manually curated data by human expert are present. Successful detection of partial discharges can prevent electricity shutdowns and forest fires resulting from insulation failure due to vegetation contact. The data set is particularly relevant for covered conductors used in mountainous regions where establishing a safe zone is challenging. The contactless method offers advantages such as cheaper and easier installation. The data set has the potential to develop machine learning models to detect partial discharges and facilitate safer and cheaper use of covered conductors.
Concurrent datasets on land cover and river monitoring in Fukushima decontaminated catchment during 2013–2018
Authors: Feng Bin , Onda Yuichi , Wakiyama Yoshifumi , Taniguchi Keisuke , Hashimoto Asahi , Zhang Yupan
Published: August 2023

After the Fukushima nuclear accident, the Japanese government implemented extensive decontamination work in 137Cs contaminated catchments for residents’ health and local revitalization. Whether dramatic land use changes in the upstream decontaminated regions affected river suspended sediment (SS) and particulate 137Cs discharge downstream remain unknown because of the poor quantification on land cover changes and long-term river SS dynamics. We here introduce a 6-year concurrent database of the Niida River Basin, a decontaminated catchment, including the first available vector decontamination maps, satellite images in decontaminated regions with a spatial resolution of 10 m, and long-term river monitoring datasets spanning decontamination (2013–2016) and subsequent natural restoration stages (2017–2018). These datasets allow us, for the first time, to directly link the transport dynamics of river SS (particulate 137Cs) to land use changes caused by humans in real-time, which provide fundamental data for better understanding the river response of sediment to land use change. Moreover, the data obtained by interdisciplinary methods offer a template for land use change impact assessment in other river basins.
Fully fluorinated non-carbon compounds NF3 and SF6 as ideal technosignature gases
Authors: Seager Sara , Petkowski Janusz J. , Huang Jingcheng , Zhan Zhuchang , Ravela Sai , Bains William
Published: August 2023

Waste gas products from technological civilizations may accumulate in an exoplanet atmosphere to detectable levels. We propose nitrogen trifluoride (NF3) and sulfur hexafluoride (SF6) as ideal technosignature gases. Earth life avoids producing or using any N–F or S–F bond-containing molecules and makes no fully fluorinated molecules with any element. NF3 and SF6 may be universal technosignatures owing to their special industrial properties, which unlike biosignature gases, are not species-dependent. Other key relevant qualities of NF3 and SF6 are: their extremely low water solubility, unique spectral features, and long atmospheric lifetimes. NF3 has no non-human sources and was absent from Earth’s pre-industrial atmosphere. SF6 is released in only tiny amounts from fluorine-containing minerals, and is likely produced in only trivial amounts by volcanic eruptions. We propose a strategy to rule out SF6’s abiotic source by simultaneous observations of SiF4, which is released by volcanoes in an order of magnitude higher abundance than SF6. Other fully fluorinated human-made molecules are of interest, but their chemical and spectral properties are unavailable. We summarize why life on Earth—and perhaps life elsewhere—avoids using F. We caution, however, that we cannot definitively disentangle an alien biochemistry byproduct from a technosignature gas.
Video reconstruction from a single motion blurred image using learned dynamic phase coding
Authors: Yosef Erez , Elmalem Shay , Giryes Raja
Published: August 2023

Video reconstruction from a single motion-blurred image is a challenging problem, which can enhance the capabilities of existing cameras. Recently, several works addressed this task using conventional imaging and deep learning. Yet, such purely digital methods are inherently limited, due to direction ambiguity and noise sensitivity. Some works attempt to address these limitations with non-conventional image sensors, however, such sensors are extremely rare and expensive. To circumvent these limitations by simpler means, we propose a hybrid optical-digital method for video reconstruction that requires only simple modifications to existing optical systems. We use learned dynamic phase-coding in the lens aperture during image acquisition to encode motion trajectories, which serve as prior information for the video reconstruction process. The proposed computational camera generates a sharp frame burst of the scene at various frame rates from a single coded motion-blurred image, using an image-to-video convolutional neural network. We present advantages and improved performance compared to existing methods, with both simulations and a real-world camera prototype. We extend our optical coding to video frame interpolation and present robust and improved results for noisy videos.
Increasing landscape heterogeneity as a win–win solution to manage trade-offs in biological control of crop and woodland pests
Authors: Tortosa Axelle , Giffard Brice , Sirami Clélia , Larrieu Laurent , Ladet Sylvie , Vialatte Aude
Published: August 2023

Agriculture and forestry cover more than 75% of Europe, and invertebrate pests are a costly challenge for these two economic sectors. Landscape management is increasingly promoted as a solution to enhance biological pest control, but little is known on its effects on adjacent crop fields and woodlands. This study aims to explore the effect of the proportion of woodlands and permanent grasslands as well as crop diversity on biological pest control simultaneously in cereals fields and woodland patches, in south-western France. We used different types of sentinel prey as well as bird and carabid community metrics to assess biological pest control potential in these two ecosystems. We first show that land cover variables influence biological pest control both in cereal fields and woodland patches, but have antagonistic effects in the two ecosystems. Although results vary according to the biological control indicator considered, we show that increasing landscape heterogeneity represents a valuable solution to manage trade-offs and promote higher average predation rates across forests and cereal fields. Our study therefore calls for more integrative studies to identify landscape management strategies that enable nature-based solutions across ecosystems.
Bioprospecting for industrially relevant exopolysaccharide-producing cyanobacteria under Portuguese simulated climate
Authors: Cruz José Diogo , Delattre Cédric , Felpeto Aldo Barreiro , Pereira Hugo , Pierre Guillaume , Morais João , Petit Emmanuel , Silva Joana , Azevedo Joana , Elboutachfaiti Redouan , Maia Inês B. , Dubessay Pascal , Michaud Philippe , Vasconcelos Vitor
Published: August 2023

Cyanobacterial exopolysaccharides (EPS) are potential candidates for the production of sustainable biopolymers. Although the bioactive and physicochemical properties of cyanobacterial-based EPS are attractive, their commercial exploitation is limited by the high production costs. Bioprospecting and characterizing novel EPS-producing strains for industrially relevant conditions is key to facilitate their implementation in various biotechnological applications and fields. In the present work, we selected twenty-five Portuguese cyanobacterial strains from a diverse taxonomic range (including some genera studied for the first time) to be grown in diel light and temperature, simulating the Portuguese climate conditions, and evaluated their growth performance and proximal composition of macronutrients. Synechocystis and Cyanobium genera, from marine and freshwater origin, were highlighted as fast-growing (0.1–0.2 g L−1 day−1) with distinct biomass composition. Synechocystis sp. LEGE 07367 and Chroococcales cyanobacterium LEGE 19970, showed a production of 0.3 and 0.4 g L−1 of released polysaccharides (RPS). These were found to be glucan-based polymers with high molecular weight and a low number of monosaccharides than usually reported for cyanobacterial EPS. In addition, the absence of known cyanotoxins in these two RPS producers was also confirmed. This work provides the initial steps for the development of cyanobacterial EPS bioprocesses under the Portuguese climate.
Novel MRI-guided focussed ultrasound stimulated microbubble radiation enhancement treatment for breast cancer
Authors: Dasgupta Archya , Saifuddin Murtuza , McNabb Evan , Ho Ling , Lu Lin , Vesprini Danny , Karam Irene , Soliman Hany , Chow Edward , Gandhi Sonal , Trudeau Maureen , Tran William , Curpen Belinda , Stanisz Greg , Sahgal Arjun , Kolios Michael , Czarnota Gregory J.
Published: August 2023

Preclinical studies have demonstrated focused ultrasound (FUS) stimulated microbubble (MB) rupture leads to the activation of acid sphingomyelinase-ceramide pathway in the endothelial cells. When radiotherapy (RT) is delivered concurrently with FUS-MB, apoptotic pathway leads to increased cell death resulting in potent radiosensitization. Here we report the first human trial of using magnetic resonance imaging (MRI) guided FUS-MB treatment in the treatment of breast malignancies. In the phase 1 prospective interventional study, patients with breast cancer were treated with fractionated RT (5 or 10 fractions) to the disease involving breast or chest wall. FUS-MB treatment was delivered before 1st and 5th fractions of RT (within 1 h). Eight patients with 9 tumours were treated. All 7 evaluable patients with at least 3 months follow-up treated for 8 tumours had a complete response in the treated site. The maximum acute toxicity observed was grade 2 dermatitis in 1 site, and grade 1 in 8 treated sites, at one month post RT, which recovered at 3 months. No RT-related late effect or FUS-MB related toxicity was noted. This study demonstrated safety of combined FUS-MB and RT treatment. Promising response rates suggest potential strong radiosensitization effects of the investigational modality.

Trial registration: clinicaltrials.gov, identifier NCT04431674.
Iron-fortified water: a new approach for reducing iron deficiency anemia in resource-constrained settings
Authors: Noubactep Chicgoua , Kenmogne-Tchidjo Joseline Flore , Vollmer Sebastian
Published: August 2023

A new approach for fortification of drinking water is presented for combating iron deficiency anemia (IDA) worldwide. The idea is to leach Fe from a bed containing granular metallic iron (Fe0), primarily using ascorbic acid (AA). AA forms very stable and bioavailable complexes with ferrous iron (FeII). Calculated amounts of the FeII-AA solution can be added daily to the drinking water of households or day-care centers for children and adults (e.g. hospitals, kindergartens/schools, refugee camps) to cover the Fe needs of the populations. Granular Fe0(e.g., sponge iron) in filters is regarded as a locally available Fe carrier in low-income settings, and, AA is also considered to be affordable in low-income countries. The primary idea of this concept is to stabilize FeIIfrom the Fe0filter by using an appropriate AA solution. An experiment showed that up to 12 mg Fe can be daily leached from 1.0 g of a commercial sponge iron using a 2 mM AA solution. Fe fortification of safe drinking water is a practicable, affordable and efficient method for reducing IDA in low-income communities.
Treatment strategy changes for inflammatory bowel diseases in biologic era: results from a multicenter cohort in Japan, Far East 1000
Authors: Taida Takashi , Ohta Yuki , Kato Jun , Ogasawara Sadahisa , Ohyama Yuhei , Mamiya Yukiyo , Nakazawa Hayato , Horio Ryosuke , Goto Chihiro , Takahashi Satsuki , Kurosugi Akane , Sonoda Michiko , Shiratori Wataru , Kaneko Tatsuya , Yokoyama Yuya , Akizue Naoki , Iino Yotaro , Kumagai Junichiro , Ishigami Hideaki , Koseki Hirotaka , Okimoto Kenichiro , Saito Keiko , Saito Masaya , Matsumura Tomoaki , Nakagawa Tomoo , Okabe Shinichiro , Saito Hirofumi , Kato Kazuki , Uehara Hirotsugu , Mizumoto Hideaki , Koma Yoshihiro , Azemoto Ryosaku , Ito Kenji , Kamezaki Hidehiro , Mandai Yoshifumi , Masuya Yoshio , Fukuda Yoshihiro , Kitsukawa Yoshio , Shimura Haruhisa , Tsuyuguchi Toshio , Kato Naoya
Published: August 2023

Many molecular targeted agents, including biologics, have emerged for inflammatory bowel diseases (IBD), but their high prices have prevented their widespread use. This study aimed to reveal the changes in patient characteristics and the therapeutic strategies of IBD before and after the implementation of biologics in Japan, where the unique health insurance system allows patients with IBD and physicians to select drugs with minimum patient expenses. The analysis was performed using a prospective cohort, including IBD expert and nonexpert hospitals in Japan. In this study, patients were classified into two groups according to the year of diagnosis based on infliximab implementation as the prebiologic and biologic era groups. The characteristics of therapeutic strategies in both groups were evaluated using association analysis. This study analyzed 542 ulcerative colitis (UC) and 186 Crohn’s disease (CD). The biologic era included 53.3% of patients with UC and 76.2% with CD, respectively. The age of UC (33.9 years vs. 38.8 years, P < 0.001) or CD diagnosis (24.3 years vs. 31.9 years, P < 0.001) was significantly higher in the biologic era group. The association analysis of patients with multiple drug usage histories revealed that patients in the prebiologic era group selected anti-tumor necrosis factor (TNF)-α agents, whereas those in the biologic era group preferred biologic agents with different mechanisms other than anti-TNF-α. In conclusion, this study demonstrated that both patient characteristics and treatment preferences in IBD have changed before and after biologic implementation.
Folic acid-conjugated dextran-coated Zn0.6Mn0.4Fe2O4 nanoparticles as systemically delivered nano heaters with self-regulating temperature for magnetic hyperthermia therapy of liver tumors
Authors: Soleymani Meysam , Poorkhani Amirhoushang , Khalighfard Solmaz , Velashjerdi Mohammad , Khori Vahid , Khodayari Saeed , Khodayari Hamid , Dehghan Mohammad , Alborzi Nazila , Agah Shahram , Alizadeh Ali Mohammad
Published: August 2023

Successful cancer treatment using magnetic hyperthermia therapy (MHT) strongly depends on biocompatible magnetic nanoparticles (NPs). They can effectively accumulate in tumor tissues after systemic injection and generate heat in the therapeutic temperature range (42–48 °C) by exposure to an AC magnetic field (AMF). For this purpose, folic acid-conjugated dextran-coated Zn0.6Mn0.4Fe2O4 (FA-Dex-ZMF) NPs were synthesized as smart nano heaters with self-regulating temperatures for MHT of liver tumors. Animal studies on BALB/c mice showed that the prepared NPs did not cause acute toxicity upon administration up to 100 mg kg−1. Likewise, no significant changes in hematological and biochemical factors were observed. FA-Dex-ZMF NPs were studied by exposing them to different safe AC magnetic fields (f = 150 kHz, H = 6, 8, and 10 kA m−1). Calorimetric experiments revealed that the NPs reached the desired temperature range (42–48 °C), which was suitable for MHT. Moreover, the efficacy of FA-Dex-ZMF NPs in MHT of liver tumors was investigated in vivo in liver-tumor-bearing mice. The obtained results revealed that the average volume of tumors in the control group increased 2.2 times during the study period. In contrast, the tumor volume remained almost constant during treatment in the MHT group. The results indicated that folic acid-conjugated dextran-coated Zn0.6Mn0.4Fe2O4 NPs with self-regulating temperature could be a promising tool for systemically delivered MHT.
Predicting acute clinical deterioration with interpretable machine learning to support emergency care decision making
Authors: Boulitsakis Logothetis Stelios , Green Darren , Holland Mark , Al Moubayed Noura
Published: August 2023

The emergency department (ED) is a fast-paced environment responsible for large volumes of patients with varied disease acuity. Operational pressures on EDs are increasing, which creates the imperative to efficiently identify patients at imminent risk of acute deterioration. The aim of this study is to systematically compare the performance of machine learning algorithms based on logistic regression, gradient boosted decision trees, and support vector machines for predicting imminent clinical deterioration for patients based on cross-sectional patient data extracted from electronic patient records (EPR) at the point of entry to the hospital. We apply state-of-the-art machine learning methods to predict early patient deterioration, based on their first recorded vital signs, observations, laboratory results, and other predictors documented in the EPR. Clinical deterioration in this study is measured by in-hospital mortality and/or admission to critical care. We build on prior work by incorporating interpretable machine learning and fairness-aware modelling, and use a dataset comprising 118, 886 unplanned admissions to Salford Royal Hospital, UK, to systematically compare model variations for predicting mortality and critical care utilisation within 24 hours of admission. We compare model performance to the National Early Warning Score 2 (NEWS2) and yield up to a 0.366 increase in average precision, up to a $$21.16\%$$

21.16
%

reduction in daily alert rate, and a median 0.599 reduction in differential bias amplification across the protected demographics of age and sex. We use Shapely Additive exPlanations to justify the models’ outputs, verify that the captured data associations align with domain knowledge, and pair predictions with the causal context of each patient’s most influential characteristics. Introducing our modelling to clinical practice has the potential to reduce alert fatigue and identify high-risk patients with a lower NEWS2 that might be missed currently, but further work is needed to trial the models in clinical practice. We encourage future research to follow a systematised approach to data-driven risk modelling to obtain clinically applicable support tools.
Conical and sabertoothed cats as an exception to craniofacial evolutionary allometry
Authors: Tamagnini Davide , Michaud Margot , Meloro Carlo , Raia Pasquale , Soibelzon Leopoldo , Tambusso P. Sebastián , Varela Luciano , Maiorano Luigi
Published: August 2023

Among evolutionary trends shaping phenotypic diversity over macroevolutionary scales, CREA (CRaniofacial Evolutionary Allometry) describes a tendency, among closely related species, for the smaller-sized of the group to have proportionally shorter rostra and larger braincases. Here, we used a phylogenetically broad cranial dataset, 3D geometric morphometrics, and phylogenetic comparative methods to assess the validity and strength of CREA in extinct and living felids. To test for the influence of biomechanical constraints, we quantified the impact of relative canine height on cranial shape evolution. Our results provided support to CREA at the family level. Yet, whereas felines support the rule, big cats, like Pantherinae and Machairodontinae, conform weakly if not at all with CREA predictions. Our findings suggest that Machairodontinae constitute one of the first well-supported exceptions to this biological rule currently known, probably in response to the biomechanical demands and developmental changes linked with their peculiar rostral adaptations. Our results suggest that the acquisition of extreme features concerning biomechanics, evo-devo constraints, and/or ecology is likely to be associated with peculiar patterns of morphological evolution, determining potential exceptions to common biological rules, for instance, by inducing variations in common patterns of evolutionary integration due to heterochronic changes under ratchet-like evolution.
TRIM26 positively affects hepatitis B virus replication by inhibiting proteasome-dependent degradation of viral core protein
Authors: Nakaya Yuki , Nishizawa Tsutomu , Nishitsuji Hironori , Morita Hiromi , Yamagata Tomoko , Onomura Daichi , Murata Kazumoto
Published: August 2023

Chronic hepatitis B virus (HBV) infection is a major medical concern worldwide. Current treatments for HBV infection effectively inhibit virus replication; however, these treatments cannot cure HBV and novel treatment-strategies should be necessary. In this study, we identified tripartite motif-containing protein 26 (TRIM26) could be a supportive factor for HBV replication. Small interfering RNA-mediated TRIM26 knockdown (KD) modestly attenuated HBV replication in human hepatocytes. Endogenous TRIM26 physically interacted with HBV core protein (HBc), but not polymerase and HBx, through the TRIM26 SPRY domain. Unexpectedly, TRIM26 inhibited HBc ubiquitination even though TRIM26 is an E3 ligase. HBc was degraded by TRIM26 KD in Huh-7 cells, whereas the reduction was restored by a proteasome inhibitor. RING domain-deleted TRIM26 mutant (TRIM26ΔR), a dominant negative form of TRIM26, sequestered TRIM26 from HBc, resulting in promoting HBc degradation. Taking together, this study demonstrated that HBV utilizes TRIM26 to avoid the proteasome-dependent HBc degradation. The interaction between TRIM26 and HBc might be a novel therapeutic target against HBV infection.
Electrical analogue of one-dimensional and quasi-one-dimensional Aubry–André–Harper lattices
Authors: Ganguly Sudin , Maiti Santanu K.
Published: August 2023

This work explores the potential for achieving correlated disorder in electrical circuits by utilizing reactive elements. By establishing a direct correspondence between the tight-binding Hamiltonian and the admittance matrix of the circuit, a novel approach is presented. The localization phenomena within the circuit are investigated through the analysis of the two-port impedance. To introduce correlated disorder, the Aubry–André–Harper (AAH) model is employed. Both one-dimensional and quasi-one-dimensional AAH structures are examined and effectively mapped to their tight-binding counterparts. Notably, transitions from a high-conducting phase to a low-conducting phase are observed in these circuits, highlighting the impact of correlated disorder.
Amyloid-β slows cilia movement along the ventricle, impairs fluid flow, and exacerbates its neurotoxicity in explant culture
Authors: Makibatake Ryota , Oda Sora , Yagi Yoshiki , Tatsumi Hitoshi
Published: August 2023

Alzheimer’s disease (AD) is characterized by extensive and selective death of neurons and deterioration of synapses and circuits in the brain. The Aβ1–42 concentration is higher in an AD brain than in cognitively normal elderly individuals, and Aβ1–42 exhibits neurotoxicity. Brain-derived Aβ is transported into the cerebrospinal fluid (CSF), and CSF flow is driven in part by the beating of cilia and CSF secretion into ventricles. Ventricles are lined with ependyma whose apical surface is covered with motile cilia. Herein, we constructed an experimental system to measure the movement of ependymal cilia and examined the effects of Aβ1–42 to the beating of cilia and neurons. The circadian rhythm of the beating frequency of ependymal cilia was detected using brain wall explant-cultures containing ependymal cilia and neurons; the beating frequency was high at midday and low at midnight. Aβ1–42 decreased the peak frequency of ciliary beating at midday and slightly increased it at midnight. Aβ1–42 exhibited neurotoxicity to neurons on the non-ciliated side of the explant culture, while the neurotoxicity was less evident in neurons on the ciliated side. The neurotoxic effect of Aβ1–42 was diminished when 1 mPa of shear stress was generated using a flow chamber system that mimicked the flow by cilia. These results indicate that Aβ1–42 affects the circadian rhythm of ciliary beating, decreases the medium flow by the cilia-beating, and enhances the neurotoxic action of Aβ1–42 in the brain explant culture.
Long-term clinical efficacy and safety of thalidomide in patients with transfusion-dependent β-thalassemia: results from Thal-Thalido study
Authors: Ali Zahid , Ismail Mohammad , Rehman Inayat Ur , Rani Gulab Fatima , Ali Muhammad , Khan Muhammad Tariq Masood
Published: August 2023

Regular blood transfusion is the mainstay of treatment in transfusion-dependent β-thalassemia (TDT); however, transfusions culminate in an array of serious complications. Therefore, a single-arm, non-randomized clinical trial was conducted in hydroxyurea refractory TDT patients to explore the long-term safety and efficacy of thalidomide. The primary outcomes for efficacy were rise in hemoglobin (Hb) level and changes in transfusion frequency. Whereas, several clinical and laboratory parameters were assessed for safety of thalidomide. Secondary outcomes included changes in serum ferritin, serum lactate dehydrogenase (LDH), serum uric acid, red blood cell indices, and size of liver and spleen. A total of 532 patients were followed for a period of 30 months. Significant increase in mean Hb level was identified at 6 months (1.4 g/dL, p ≤ 0.001) and 30 months (2 g/dL, p ≤ 0.001) in comparison with baseline. A total of 408 (76.7%) patients responded to thalidomide therapy (excellent responders 25.8%, good responders 31%, and partial responders 19.9%) and attained transfusion independence within 6 months of therapy. A significant decline in mean ferritin, LDH level, liver size, and spleen size was observed. No unfavorable effects were observed on kidney and liver functions. Mild adverse events were reported in 48 (9%) patients and serious adverse events, including cerebral vascular accident and portal vein thrombosis were reported in two patients each. This study concludes that thalidomide is an effective and well-tolerated drug that can improve Hb levels and reduce transfusion burden in hydroxyurea refractory TDT patients.

Trial registration:This trial is registered athttp://www.clinicaltrial.govas # NCT03651102.
Decreased susceptibility to vancomycin and other mechanisms of resistance to antibiotics in Staphylococcus epidermidis as a therapeutic problem in hospital treatment
Authors: Szemraj Magdalena , Glajzner Paulina , Sienkiewicz Monika
Published: August 2023

Multidrug-resistant coagulase-negative staphylococci represent a real therapeutic challenge. The aim of the study was to emphasize the importance of heteroresistance to vancomycin presence in methicillin-resistant strains of S. epidermidis. The research comprised 65 strains of S. epidermidis. Heteroresistance to vancomycin was detected with the use of the agar screening method with Brain Heart Infusion and a population profile analysis (PAP test). In addition, types of cassettes and genes responsible for resistance to antibiotics for 22 multidrug resistant strains were determined. Our investigations showed that 56 of 65 S. epidermidis strains were phenotypically resistant to methicillin. The tested strains were mostly resistant to erythromycin, gentamicin, clindamycin, and ciprofloxacin. Six strains showed decreased susceptibility to vancomycin and their heterogeneous resistance profiles were confirmed with the PAP test. All tested multi-resistant strains exhibited the mecA gene. More than half of them possessed type IV cassettes. ant(4′)-Ia and aac(6′)/aph(2′′), ermC and tetK genes were most commonly found. The described phenomenon of heteroresistance to vancomycin in multidrug resistant bacteria of the Staphylococcus genus effectively inhibits a therapeutic effect of treatment with this antibiotic. That is why it is so important to search for markers that will enable to identify heteroresistance to vancomycin strains under laboratory conditions.
Cerebral small vessel disease burden is associated with decreased abundance of gut Barnesiella intestinihominis bacterium in the Framingham Heart Study
Authors: Fongang Bernard , Satizabal Claudia , Kautz Tiffany F. , Wadop Yannick N. , Muhammad Jazmyn A. S. , Vasquez Erin , Mathews Julia , Gireud-Goss Monica , Saklad Amy R. , Himali Jayandra , Beiser Alexa , Cavazos Jose E. , Mahaney Michael C. , Maestre Gladys , DeCarli Charles , Shipp Eric L. , Vasan Ramachandran S. , Seshadri Sudha
Published: August 2023

A bidirectional communication exists between the brain and the gut, in which the gut microbiota influences cognitive function and vice-versa. Gut dysbiosis has been linked to several diseases, including Alzheimer's disease and related dementias (ADRD). However, the relationship between gut dysbiosis and markers of cerebral small vessel disease (cSVD), a major contributor to ADRD, is unknown. In this cross-sectional study, we examined the connection between the gut microbiome, cognitive, and neuroimaging markers of cSVD in the Framingham Heart Study (FHS). Markers of cSVD included white matter hyperintensities (WMH), peak width of skeletonized mean diffusivity (PSMD), and executive function (EF), estimated as the difference between the trail-making tests B and A. We included 972 FHS participants with MRI scans, neurocognitive measures, and stool samples and quantified the gut microbiota composition using 16S rRNA sequencing. We used multivariable association and differential abundance analyses adjusting for age, sex, BMI, and education level to estimate the association between gut microbiota and WMH, PSMD, and EF measures. Our results suggest an increased abundance of Pseudobutyrivibrio and Ruminococcus genera was associated with lower WMH and PSMD (p values < 0.001), as well as better executive function (p values < 0.01). In addition, in both differential and multivariable analyses, we found that the gram-negative bacterium Barnesiella intestinihominis was strongly associated with markers indicating a higher cSVD burden. Finally, functional analyses using PICRUSt implicated various KEGG pathways, including microbial quorum sensing, AMP/GMP-activated protein kinase, phenylpyruvate, and β-hydroxybutyrate production previously associated with cognitive performance and dementia. Our study provides important insights into the association between the gut microbiome and cSVD, but further studies are needed to replicate the findings.
Prognostic implications of unrecognized myocardial infarction and periprocedural myocardial injury on cardiac magnetic resonance imaging in patients with chronic coronary syndrome
Authors: Kanaji Yoshihisa , Hoshino Masahiro , Hada Masahiro , Ozcan Ilke , Sugiyama Tomoyo , Matsuda Kazuki , Sayama Kodai , Nogami Kai , Nagamine Tatsuhiro , Teng Yun , Misawa Toru , Araki Makoto , Usui Eisuke , Murai Tadashi , Yonetsu Taishi , Sasano Tetsuo , Kakuta Tsunekazu
Published: August 2023

This study sought to evaluate the prognostic implications of the presence of preprocedural unrecognized myocardial infarction (UMI) and periprocedural myocardial injury (PMI) evaluated by delayed gadolinium enhancement cardiac magnetic resonance (DE-CMR) in patients with chronic coronary syndrome (CCS) undergoing elective percutaneous coronary intervention (PCI). We enrolled 250 CCS patients scheduled for elective PCI. UMI was defined as the presence of late gadolinium enhancement (LGE) detected by pre-PCI CMR in the region without medical history of revascularization and/or MI. Periprocedural new occurrence or increased volume of LGE in the target territory detected by post-PCI CMR (PPL) were used to assess PMI. In the final analysis of 235 patients, UMI and PPL were detected in 43 patients (18.3%) and 45 patients (19.1%), respectively. During follow-up for a median of 2.2 years, major adverse cardiac events (MACE) occurred in 31 (13.2%) patients. On multivariable analysis, UMI and PPL remained as significant predictors of MACE after adjusting confounding factors (HR 4.62, 95% CI 2.24–9.54, P < 0.001, HR 2.33, 95% CI 1.11–4.91, P = 0.026). In patients with CCS who underwent elective PCI, UMI and PPL were independent predictors of worse outcomes. UMI and PPL on DE-CMR might provide additional potential insight for the risk stratification of patients undergoing elective PCI.
Nonlinear interaction between double tearing mode and Kelvin–Helmholtz instability with different shear flows
Authors: Li Z. , Wang X. Q. , Xu Y. , Liu H. F. , Huang J.
Published: August 2023

The nonlinear interaction between the double tearing mode (DTM) and Kelvin–Helmholtz (KH) instabilities with different shear flow profiles has been numerically investigated via the use of a compressible magnetohydrodynamics (MHD) model. We focus on KH instabilities in weak and reversed magnetic shear plasmas with strong stabilizing effect of field line bending. Results show that KH instabilities coupled with DTMs occur in these plasmas and the KH mode dominates the instability dynamics, suggesting the crucial role of weak magnetic shear in the formation of high-mode harmonics. For symmetric flows, an asymmetric forced magnetic reconnection configuration is maintained during the growth phase, leading to interlocking of the modes. Additionally, this investigation of the DTM-KH instability interaction contributes to our understanding of the nonlinear reconnection mechanism in the regime of weak and reversed magnetic shear plasmas, which is relevant for astrophysical and fusion studies.
Clinical utility of maximum blink interval measured by smartphone application DryEyeRhythm to support dry eye disease diagnosis
Authors: Fujio Kenta , Nagino Ken , Huang Tianxiang , Sung Jaemyoung , Akasaki Yasutsugu , Okumura Yuichi , Midorikawa-Inomata Akie , Fujimoto Keiichi , Eguchi Atsuko , Miura Maria , Hurramhon Shokirova , Yee Alan , Hirosawa Kunihiko , Ohno Mizu , Morooka Yuki , Murakami Akira , Kobayashi Hiroyuki , Inomata Takenori
Published: August 2023

The coronavirus disease (COVID-19) pandemic has emphasized the paucity of non-contact and non-invasive methods for the objective evaluation of dry eye disease (DED). However, robust evidence to support the implementation of mHealth- and app-based biometrics for clinical use is lacking. This study aimed to evaluate the reliability and validity of app-based maximum blink interval (MBI) measurements using DryEyeRhythm and equivalent traditional techniques in providing an accessible and convenient diagnosis. In this single-center, prospective, cross-sectional, observational study, 83 participants, including 57 with DED, had measurements recorded including slit-lamp-based, app-based, and visually confirmed MBI. Internal consistency and reliability were assessed using Cronbach’s alpha and intraclass correlation coefficients. Discriminant and concurrent validity were assessed by comparing the MBIs from the DED and non-DED groups and Pearson’s tests for each platform pair. Bland–Altman analysis was performed to assess the agreement between platforms. App-based MBI showed good Cronbach’s alpha coefficient, intraclass correlation coefficient, and Pearson correlation coefficient values, compared with visually confirmed MBI. The DED group had significantly shorter app-based MBIs, compared with the non-DED group. Bland–Altman analysis revealed minimal biases between the app-based and visually confirmed MBIs. Our findings indicate that DryEyeRhythm is a reliable and valid tool that can be used for non-invasive and non-contact collection of MBI measurements, which can assist in accessible DED detection and management.
Postcolonial lessons and migration from climate change: ongoing injustice and hope
Authors: Morrison Keith , Nand Moleen Monita , Ali Tasneem , Mele Sotiana
Published: August 2023

The 2022 Intergovernmental Panel on Climate Change (IPCC) reported that the ongoing impacts of colonisation compromise the ability of many peoples to adapt to the effects of climate change. The interaction between climate justice and postcolonial justice raises many important questions about the interconnectedness and common causes of coloniality and anthropogenic climate change. We recognise a dynamic interaction, and that it is a feature of necropolitics causing both coloniality and anthropogenic climate change. Through grounded experience of cultural traditions in Pacific Islands countries (PICs), and use of transdisciplinary anticipatory systems and resilience theories, we proffer conceptual models to show how IPCC scenarios can be used to assist both climate justice and postcolonial justice, but also to forewarn how IPCC scenarios can also be used to deepen injustice. There are strident expressions within PICs to proactively engage in restorative climate justice. Our conceptual models summarise this as an emerging multi-scalar process, which we term tri-SSM. We argue tri-SSM is a hopeful regenerative kernel empowering vulnerable communities, including their proactive use of migration.
Large area optimization of meta-lens via data-free machine learning
Authors: Zhelyeznyakov Maksym , Fröch Johannes , Wirth-Singh Anna , Noh Jaebum , Rho Junsuk , Brunton Steve , Majumdar Arka
Published: August 2023

Sub-wavelength diffractive optics, commonly known as meta-optics, present a complex numerical simulation challenge, due to their multi-scale nature. The behavior of constituent sub-wavelength scatterers, or meta-atoms, needs to be modeled by full-wave electromagnetic simulations, whereas the whole meta-optical system can be modeled using ray/ Fourier optics. Most simulation techniques for large-scale meta-optics rely on the local phase approximation (LPA), where the coupling between dissimilar meta-atoms is neglected. Here we introduce a physics-informed neural network, coupled with the overlapping boundary method, which can efficiently model the meta-optics while still incorporating all of the coupling between meta-atoms. We demonstrate the efficacy of our technique by designing 1mm aperture cylindrical meta-lenses exhibiting higher efficiency than the ones designed under LPA. We experimentally validated the maximum intensity improvement (up to 53%) of the inverse-designed meta-lens. Our reported method can design large aperture ( ~ 104 − 105λ) meta-optics in a reasonable time (approximately 15 minutes on a graphics processing unit) without relying on the LPA.
Base-promoted one-pot three-component desulphurization cross-coupling access to 4-cyanoimidazole
Authors: Wen Jiangwei , Zeng Ting , Yan Kelu , Zhao Lulu , Zhu Shuyun , Yang Jianjing
Published: August 2023

Herein, we present a pioneering, facile, and scalable base-mediated one-pot three-component desulphurization cross-coupling strategy for the synthesis of 4-cyanoimidazole derivatives.
Direct electrochemical CO2 conversion using oxygen-mixed gas on a Cu network cathode and tailored anode
Authors: Anzai Akihiko , Higashi Manabu , Yamauchi Miho
Published: August 2023

Electrochemical CO2 reduction (eCO2R) by direct introduction of 60% air-containing CO2 mixed gas was demonstrated using a porous Cu network cathode formed on a hydrophobic gas diffusion layer (Cu/P-GDL).
Selective collection of Yb(iii) over La(iii) and Eu(iii) from aqueous solution by bis(tetramethylammonium) salt crystals of p-tert-butylcalix[4]arene-1,3-diphosphonic acid
Authors: Morohashi Naoya , Osawa Mayu , Bhalla Vandana , Sumida Sahoko , Kato Yutaka , Takahashi Ryuki , Iki Nobuhiko , Hattori Tetsutaro
Published: August 2023

Crystals of the bis(tetramethylammonium) salt of p-tert-butylcalix[4]arene-1,3-diphosphonic acid have been prepared for the selective collection of Yb(iii) over La(iii) and Eu(iii) from aqueous solution under thermodynamic control.
Crystalline micro and mesoporous materials for applications in heterogeneous catalysis: the evolution of materials
Authors: Yañez-Aulestia Ana , Sánchez-González Elí , Flores J. Gabriel , de los Reyes José Antonio , Ibarra Illich A. , Aguilar-Pliego Julia
Published: August 2023

This highlight article features selected examples of heterogeneous catalytic reactions using traditional inorganic materials such as silica, aluminium-based materials, and zeolites to the evolution of these reactions using novel metal–organic frameworks (MOFs).
Refractive index dispersion measurement in the short-wave infrared range using synthetic phase microscopy
Authors: Nyakuchena Melisa , Juntunen Cory , Shea Peter , Sung Yongjin
Published: August 2023

Using a phase imaging technique and a least-squares fitting, we measure the refractive index dispersion of polymer microspheres, glass microspheres, and microscopy mounting media in the short-wave infrared wavelength range of 1100–1650 nm.
The nitriding effect on the stability and mechanical properties of the iron titan phase: first-principles investigation
Authors: Ishkildin Andrey D. , Kistanov Andrey A. , Izosimov Artem A. , Korznikova Elena A.
Published: August 2023

Using DFT-based calculations, it is shown that higher stability of FeTi can be achieved at a low concentration of nitrogen distributed in the alloy, while upon clustering of nitrogen, FeTi becomes more stable at higher concentrations of nitrogen.
Experimental and computational study on the influence of cobalt substitution on the structural, impedance, electronic, magnetic, and optical properties of pseudobrookite-structured Fe2TiO5
Authors: Naveed-Ul-Haq M. , Shafiq Anum , Zia Layiq , Mumtaz Arif
Published: August 2023

The structure, electric permittivity, impedance, electronic structure, magnetic, and optical properties of Fe2TiO5 and Co-doped Fe2TiO5 are reported.
Study on the catalytic activity and hydrothermal stability of one-pot synthesized Fe-based FER zeolites for NH3-SCR
Authors: Hu Xinyue , Chen Jialing , He Shaokang , Liang Tingyu , Zheng Shenke , Lu Lijun , Hao Chenxi , Chen Kaixin , Li Tingting , Yi Lan , Guo Li , Wu Xiaoqin
Published: August 2023

OP-Fe-FER-30 show better NH3-SCR activity than IM-Fe/SSZ-20 whether before or after hydrothermal aging treatments, which cause the collapse of zeolite framework, migration and aggregation of iron species and the decease of NH3-SCR activity.
Direct ocean capture: the emergence of electrochemical processes for oceanic carbon removal
Authors: Aleta Prince , Refaie Abdelrahman , Afshari Mohsen , Hassan Ahmad , Rahimi Mohammad
Published: August 2023

This study explores the emerging development of electrochemical direct ocean capture (eDOC) as an effective negative emission technology; focusing on pH swing mechanisms, we highlight advancements in eDOC and identify key areas for future research.
Time resolved pore scale monitoring of nanoparticle transport in porous media using synchrotron X-ray μ-CT
Authors: Schiefler Adrian Alexander , Sørensen Henning Osholm , Bruns Stefan , Müter Dirk , Uesugi Kentaro , Tobler Dominique Jeanette
Published: August 2023

Capturing nanoparticle retention in 4D via ex situ μ-CT.
A screening of results on the decay length in concentrated electrolytes
Authors: Jäger Henrik , Schlaich Alexander , Yang Jie , Lian Cheng , Kondrat Svyatoslav , Holm Christian
Published: August 2023

We briefly review theoretical, experimental and simulation results on screening in concentrated electrolytes and study the effect of solvent and confinement on structure and screening behaviour using classical DFT combined with atomistic simulations.
Repurposing the cellulase workhorse Trichoderma reesei as a ROBUST chassis for efficient terpene production
Authors: Xiao Meili , Wang Yinmei , Wang Yan , Yan Xing , Zhu Zhihua , Tian Ernuo , Yang Chengshuai , Ma Erdong , Zou Gen , Zhou Zhihua , Wang Pingping
Published: August 2023

Trichoderma reesei has been engineered into a versatile and efficient terpene chassis that can utilize agro-industrial residues as its substrate.
Palladium nanocatalyst assisted in situ regeneration of amino donor in a one-enzyme cascade
Authors: Wang Ruke , Tang Xuan , Jv Xinchun , Liu Yaxu , Wang Bo
Published: August 2023

α-Chiral amines are key intermediates for scalable preparation of bioactive compounds; herein we present a novel palladium-based nanocatalyst capable of selectively catalyzing the reductive amination of carbonyl compounds, which enables the in situ regeneration of amino donors from wasteful co-products in a one-enzyme cascade using ω-transaminase, without the requirement of the expensive coenzyme NAD(P)H.
An unexpected interfacial Mo-rich phase in 2D molybdenum disulfide and 3D gold heterojunctions
Authors: Wang Mengjia , Luo Ruichun , Liu Yuxin , Zhao Xiaoran , Zhuang Xiaodong , Xu Wen Wu , Chen Mingwei , Liu Pan
Published: August 2023

We found a Mo-rich phase during thermal sulfidation Mo–Au surface alloy to MoS2 in S-poor environment, and the Mo-rich phase preferentially nucleates and grows between outmost MoS2 and 3D Au substrate which possesses copious surface steps and kinks.
Do quantum interference effects manifest in acyclic aliphatic molecules with anchoring groups?
Authors: Kumar Ravinder , Seth Charu , Venkatramani Ravindra , Kaliginedi Veerabhadrarao
Published: August 2023

We demonstrate quantum interference in acyclic molecular junctions originating from orbitals localized on electrode-anchoring groups. The interference can be used to mechanically modulate both single molecule electronic conductance and thermopower.
Capping and etching roles of copper ions in controlled synthesis of Au–PtCu trimetallic nanorods with improved photothermal and photocatalytic activities
Authors: Long Xiang , Yang Yang , Dou Zhen-Long , Wang Qu-Quan , Zhou Li
Published: August 2023

The capping and etching properties of copper ions were demonstrated to synthesize different Au–PtCu nanorods with improved photothermal and photocatalytic activities.
Influence of ligands on the optical properties of rod-shaped Au25 nanoclusters
Authors: Zuo Zewen , Hu Kuo-Juei , Lu Siqi , Hu Shengyong , Tang Sichen , Zhang Yongxin , Zhao Zixiang , Zheng Dong , Song Fengqi
Published: August 2023

The ligand can have a significant influence on the optical absorption spectra of rod-shaped Au25 nanoclusters.
Primary nitro compounds: progress in the synthesis of isoxazoles by condensation with aldehydes or activated ketones
Authors: De Sarlo Francesco , Machetti Fabrizio
Published: August 2023

This review summarises more than a century of experiments to effectively and regioselectively achieve the preparation of polysubstituted isoxazoles by combining nitro compounds with aldehydes or activated ketones.