bluuebunny/crossref_metadata_2025 huggingface dataset:
A lithium–aluminium heterobimetallic dimetallocene
Authors: Bischoff Inga-Alexandra , Danés Sergi , Thoni Philipp , Morgenstern Bernd , Andrada Diego M. , Müller Carsten , Lambert Jessica , Gießelmann Elias C. J. , Zimmer Michael , Schäfer André
Published: May 2024

Homobimetallic dimetallocenes exhibiting two identical metal atoms sandwiched between two η5 bonded cyclopentadienyl rings is a narrow class of compounds, with representative examples being dizincocene and diberyllocene. Here we report the synthesis and structural characterization of a heterobimetallic dimetallocene, accessible through heterocoupling of lithium and aluminylene fragments with pentaisopropylcyclopentadienyl ligands. The Al–Li bond features a high ionic character and profits from attractive dispersion interactions between the isopropyl groups of the cyclopentadienyl ligands. A key synthetic step is the isolation of a cyclopentadienylaluminylene monomer, which also enables the structural characterization of this species. In addition to their structural authentication by single-crystal X-ray diffraction analysis, both compounds were characterized by multinuclear NMR spectroscopy in solution and in the solid state. Furthermore, reactivity studies of the lithium–aluminium heterobimetallic dimetallocene with an N-heterocyclic carbene and different heteroallenes were performed and show that the Al–Li bond is easily cleaved.
Parsimonious estimation of hourly surface ozone concentration across China during 2015–2020
Authors: Zhang Wenxiu , Liu Di , Tian Hanqin , Pan Naiqin , Yang Ruqi , Tang Wenhan , Yang Jia , Lu Fei , Dayananda Buddhi , Mei Han , Wang Siyuan , Shi Hao
Published: May 2024

Surface ozone is an important air pollutant detrimental to human health and vegetation productivity, particularly in China. However, high resolution surface ozone concentration data is still lacking, largely hindering accurate assessment of associated environmental impacts. Here, we collected hourly ground ozone observations (over 6 million records), remote sensing products, meteorological data, and social-economic information, and applied recurrent neural networks to map hourly surface ozone data (HrSOD) at a 0.1° × 0.1° resolution across China during 2015–2020. The coefficient of determination (R2) values in sample-based, site-based, and by-year cross-validations were 0.72, 0.65 and 0.71, respectively, with the root mean square error (RMSE) values being 11.71 ppb (mean = 30.89 ppb), 12.81 ppb (mean = 30.96 ppb) and 11.14 ppb (mean = 31.26 ppb). Moreover, it exhibits high spatiotemporal consistency with ground-level observations at different time scales (diurnal, seasonal, annual), and at various spatial levels (individual sites and regional scales). Meanwhile, the HrSOD provides critical information for fine-resolution assessment of surface ozone impacts on environmental and human benefits.
Confined bioprinting and culture in inflatable bioreactor for the sterile bioproduction of tissues and organs
Authors: Dufour Alexandre , Essayan Lucie , Thomann Céline , Petiot Emma , Gay Isabelle , Barbaroux Magali , Marquette Christophe
Published: May 2024

The future of organ and tissue biofabrication strongly relies on 3D bioprinting technologies. However, maintaining sterility remains a critical issue regardless of the technology used. This challenge becomes even more pronounced when the volume of bioprinted objects approaches organ dimensions. Here, we introduce a novel device called the Flexible Unique Generator Unit (FUGU), which is a unique combination of flexible silicone membranes and solid components made of stainless steel. Alternatively, the solid components can also be made of 3D printed medical-grade polycarbonate. The FUGU is designed to support micro-extrusion needle insertion and removal, internal volume adjustment, and fluid management. The FUGU was assessed in various environments, ranging from custom-built basic cartesian to sophisticated 6-axis robotic arm bioprinters, demonstrating its compatibility, flexibility, and universality across different bioprinting platforms. Sterility assays conducted under various infection scenarios highlight the FUGU’s ability to physically protect the internal volume against contaminations, thereby ensuring the integrity of the bioprinted constructs. The FUGU also enabled bioprinting and cultivation of a 14.5 cm3 human colorectal cancer tissue model within a completely confined and sterile environment, while allowing for the exchange of gases with the external environment. This FUGU system represents a significant advancement in 3D bioprinting and biofabrication, paving the path toward the sterile production of implantable tissues and organs.
Hematological and renal toxicity in mice after three cycles of high activity [177Lu]Lu-PSMA-617 with or without human α1-microglobulin
Authors: Kristiansson Amanda , Vilhelmsson Timmermand Oskar , Altai Mohamed , Strand Sven-Erik , Åkerström Bo , Örbom Anders
Published: May 2024

Radioligand therapy with [177Lu]Lu-PSMA-617 can be used to prolong life and reduce tumor burden in terminally ill castration resistant prostate cancer patients. Still, accumulation in healthy tissue limits the activity that can be administered. Therefore, fractionated therapy is used to lower toxicity. However, there might be a need to reduce toxicity even further with e.g. radioprotectors. The aim of this study was to (i). establish a preclinical mouse model with fractionated high activity therapy of three consecutive doses of 200 MBq [177Lu]Lu-PSMA-617 in which we aimed to (ii). achieve measurable hematotoxicity and nephrotoxicity and to (iii). analyze the potential protective effect of co-injecting recombinant α1-microglobulin (rA1M), a human antioxidant previously shown to have radioprotective effects. In both groups, three cycles resulted in increased albuminuria for each cycle, with large individual variation. Another marker of kidney injury, serum blood urea nitrogen (BUN), was only significantly increased compared to control animals after the third cycle. The number of white and red blood cells decreased significantly and did not reach the levels of control animals during the experiment. rA1M did reduce absorbed dose to kidney but did not show significant protection here, but future studies are warranted due to the recent clinical studies showing a significant renoprotective effect in patients.
Unveiling the influence of global innovation networks on corporate innovation: evidence from the international semiconductor industry
Authors: Wu Yingna , Ding Liang , Li Na , Yu Xin
Published: May 2024

In this study, we investigate the influence of global innovation networks (GINs) on the innovation output of semiconductor firms. Utilizing negative binomial regression and network analysis, we assess how network positions, specifically degree, betweenness, and closeness centrality, affect firms’ innovation performance, revealing significant positive impacts. Moreover, our results identify a positive U-shaped relationship between structural holes in GINs and innovation performance, suggesting that while moderate network engagement aids innovation, too much can be detrimental. This research provides key insights into optimizing GIN participation for better innovation results in the competitive semiconductor sector.
Deciphering genetic diversity in conserved cattle bulls to achieve sustainable development goals
Authors: Kumar Amod , Aggarwal Rajeev Anand Kumar , Tantia M. S.
Published: May 2024

The primary objective of Sustainable Development Goal target 2.5 established by the United Nations is to ensure the preservation of genetic diversity in domesticated animals. The ICAR-National Bureau of Animal Genetic Resources in India has been actively engaged in the conservation of cattle and buffalo bull semen for long-term storage. This present study aimed to assess the genetic diversity present in the conserved cattle bull semen, which would aid in determining the most suitable strategy for future conservation management. A total of 192 bull semen belonging to 19 cattle breeds were selected to evaluate genetic diversity using 17 pairs of FAO recommended microsatellite primers. Total 267 alleles were detected across all the samples which indicates substantial amount of allelic variation is being maintained in conserved bulls. Further, all cattle bulls semen conserved showed higher observed heterozygosity than expected heterozygosity which indicates excess genetic diversity in all the populations. The FST, FITand FISvalue across the loci and population is 0.146 ± 0.009, 0.054 ± 0.038, and − 0.105 ± 0.035, respectively, which suggests lack of inbreeding in conserved cattle bull semen. This study has established genetic diversity in conserved cattle semen samples to achieve sustainable development goals. In addition, it provides compelling evidence that the current approach for conserving cattle bull semen is heading in the correct direction.
Assessing the distribution of cancer stem cells in tumorspheres
Authors: Fotinós Jerónimo , Marks María Paula , Barberis Lucas , Vellón Luciano
Published: May 2024

Cancer Stem Cells presumably drive tumor growth and resistance to conventional cancer treatments. From a previous computational model, we inferred that these cells are not uniformly distributed in the bulk of a tumorsphere. To confirm this result, we cultivated tumorspheres enriched in stem cells, and performed immunofluorescent detection of the stemness marker SOX2 using confocal microscopy. In this article, we present an image processing method that reconstructs the amount and location of the Cancer Stem Cells in the spheroids. Its advantage is the use of a statistical criterion to classify the cells in Stem and Differentiated, instead of setting an arbitrary threshold. Moreover, the analysis of the experimental images presented in this work agrees with the results from our computational models, thus enforcing the notion that the distribution of Cancer Stem Cells in a tumorsphere is non-homogeneous. Additionally, the method presented here provides a useful tool for analyzing any image in which different kinds of cells are stained with different markers.
Deep learning segmentation of non-perfusion area from color fundus images and AI-generated fluorescein angiography
Authors: Masayoshi Kanato , Katada Yusaku , Ozawa Nobuhiro , Ibuki Mari , Negishi Kazuno , Kurihara Toshihide
Published: May 2024

The non-perfusion area (NPA) of the retina is an important indicator in the visual prognosis of patients with branch retinal vein occlusion (BRVO). However, the current evaluation method of NPA, fluorescein angiography (FA), is invasive and burdensome. In this study, we examined the use of deep learning models for detecting NPA in color fundus images, bypassing the need for FA, and we also investigated the utility of synthetic FA generated from color fundus images. The models were evaluated using the Dice score and Monte Carlo dropout uncertainty. We retrospectively collected 403 sets of color fundus and FA images from 319 BRVO patients. We trained three deep learning models on FA, color fundus images, and synthetic FA. As a result, though the FA model achieved the highest score, the other two models also performed comparably. We found no statistical significance in median Dice scores between the models. However, the color fundus model showed significantly higher uncertainty than the other models (p < 0.05). In conclusion, deep learning models can detect NPAs from color fundus images with reasonable accuracy, though with somewhat less prediction stability. Synthetic FA stabilizes the prediction and reduces misleading uncertainty estimates by enhancing image quality.
Dapagliflozin added to metformin reduces perirenal fat layer in type 2 diabetic patients with obesity
Authors: Cuatrecasas Guillem , De Cabo Francisco , Coves M. José , Patrascioiu Ioana , Aguilar Gerardo , Cuatrecasas Gabriel , March Sonia , Calbo Marta , Rossell Olga , Balfegó Mariona , Benito Camila , Di Gregorio Silvana , Garcia Lorda Pilar , Muñoz Elena
Published: May 2024

Sodium-glucose co-transporters type 2 inhibitors (SLGT2i) are highly effective in controlling type 2 diabetes, but reported beneficial cardiovascular effects suggest broader actions on insulin resistance. Weight loss may be initially explained by glycosuria-induced net caloric output and secondary volumetric reduction, but its maintenance could be due to loss of visceral fat mass. Structured ultrasound (US) imaging of abdominal adipose tissue (“eco-obesity”) is a recently described methodology used to measure 5 consecutive layers of abdominal fat, not assessable by DEXA or CT scan: superficial subcutaneous (SS), deep subcutaneous (DS), preperitoneal (PP), omental (Om) and right perirenal (RK). PP, Om and RK are predictors of metabolic syndrome (MS) with defined cut-off points. To assess the effect of SLGT2i on every fat depot we enrolled 29 patients with type 2 Diabetes (HbA1c 6.5–9%) and Obesity (IMC > 30 kg/m2) in an open-label, randomized, phase IV trial (EudraCT: 2019-000979-16): the Omendapa trial. Diabetes was diagnosed < 12 months before randomization and all patients were treatment naïve. 14 patients were treated with metformin alone (cohort A) and 15 were treated with metformin + dapaglifozin (cohort B). Anthropometric measures and laboratory tests for glucose, lipid profile, insulin, HOMA, leptin, ultrasensitive-CRP and microalbuminuria (MAL) were done at baseline, 3rd and 6th months. At 6th month, weight loss was −5.5 ± 5.2 kg (5.7% from initial weight) in cohort A and −8.4 ± 4.4 kg (8.6%) in cohort B. Abdominal circumference showed a −2.7 ± 3.1 cm and −5.4 ± 2.5 cm reduction, respectively (p = 0.011). Both Metformin alone (−19.4 ± 20.1 mm; −21.7%) or combined with Dapaglifozin (−20.5 ± 19.4 mm; −21.8%) induced significant Om fat reduction. 13.3% of cohort A patients and 21.4% of cohort’s B reached Om thickness below the cut-off for MS criteria. RK fat loss was significantly greater in cohort B group compared to cohort A, at both kidneys. Only in the Met + Dapa group, we observed correlations between Om fat with leptin/CRP/MAL and RK fat with HOMA-IR. US is a useful clinical tool to assess ectopic fat depots. Both Metformin and Dapaglifozin induce fat loss in layers involved with MS but combined treatment is particularly effective in perirenal fat layer reduction. Perirenal fat should be considered as a potential target for cardiovascular dapaglifozin beneficial effects.
Recycling of waste coffee grounds as a photothermal material modified with ZnCl2 for water purification
Authors: Gabisa Elias Wagari , Ratanatamskul Chavalit
Published: May 2024

The aim of this study was to develop a photothermal material modified with carbonization and ZnCl2 impregnation and supported by polyvinyl alcohol (PVA) for water purification using the waste coffee grounds. Scanning electron microscopy (SEM) characterization of the prepared material revealed that a significant surface modification was achieved due to the carbonization and ZnCl2 impregnation. X-ray diffraction analysis (XRD) pattern of the samples showed two broad peaks at 18.4° and 22.2°, this is due to the crystal planes of β-crystal phase structure, which indicates the existence of strong hydrogen bonds between the micro-structures and therefore less suspectable to chemical attack. Additionally, thermogravimetric analysis (TGA) result suggests a slight mass reduction between the temperature range of 65–75 °C implying the thermal stability of the prepared material. The produced modified material had a photothermal conversion efficiency of 74% and could produce vapor at a rate of 1.12 kg/m2h under 980 W/m2 irradiation at 1 sun. A significant reduction in Cu2+ ion concentration (83%), turbidity (91%), total dissolved solids (TDS) (61%), microbial load (95.6%), and total hardness (41.2%) were achieved. Therefore, waste coffee grounds can be considered as a future eco-friendly and low-cost candidate for water purification.
Thermal modal analysis of hypersonic composite wing on transient aerodynamic heating
Authors: Wang Kangjie , Wang Junli , Liu Zhiyuan , Zhang Sheng , Zhang Baosheng , Quan Wenyong
Published: May 2024

Considering the influence of thermal stress and material property variations, this study employs the Navier–Stokes equations and Fourier heat conduction law to establish a semi-implicit time-domain numerical analysis method for hypersonic aerothermal-structural coupling. Study the temporal variation pattern of different regions of the composite material wing under aerodynamic heating. Using the obtained transient temperature field of the wing, the thermal modal of the wing at different time points is calculated using the finite element method. Additionally, it conducts an analysis and discussion on the factors influencing the thermal modal. Composites can be effectively utilized as thermal protection materials for aircraft. During the aerodynamic heating process, the leading edge temperature reaches thermal equilibrium first, followed by the trailing edge, and the belly plate experiences a slower thermal response. Temperature rise significantly affects higher-order modes, with the change in material properties during the early stages of heating being the dominant factor. This leads to a faster decrease in natural frequency. As heat conduction progresses, the influencing factors of thermal stresses gradually increase, and the natural frequency decreases slowly or even rises.
Carbon carrying capacity in primary forests shows potential for mitigation achieving the European Green Deal 2030 target
Authors: Keith Heather , Kun Zoltàn , Hugh Sonia , Svoboda Miroslav , Mikoláš Martin , Adam Dusan , Bernatski Dmitry , Blujdea Viorel , Bohn Friedrich , Camarero Jesús Julio , Demeter László , Di Filippo Alfredo , Dutcă Ioan , Garbarino Matteo , Horváth Ferenc , Ivkovich Valery , Jansons Āris , Ķēņina Laura , Kral Kamil , Martin-Benito Dario , Molina-Valero Juan Alberto , Motta Renzo , Nagel Thomas A. , Panayotov Momchil , Pérez-Cruzado César , Piovesan Gianluca , Roibu Cătălin-Constantin , Šamonil Pavel , Vostarek Ondřej , Yermokhin Maxim , Zlatanov Tzvetan , Mackey Brendan
Published: May 2024

Carbon accounting in the land sector requires a reference level from which to calculate past losses of carbon and potential for gains using a stock-based target. Carbon carrying capacity represented by the carbon stock in primary forests is an ecologically-based reference level that allows estimation of the mitigation potential derived from protecting and restoring forests to increase their carbon stocks. Here we measured and collated tree inventory data at primary forest sites including from research studies, literature and forest inventories (7982 sites, 288,262 trees, 27 countries) across boreal, temperate, and subtropical Global Ecological Zones within Europe. We calculated total biomass carbon stock per hectare (above- and below-ground, dead biomass) and found it was 1.6 times larger on average than modelled global maps for primary forests and 2.3 times for all forests. Large trees (diameter greater than 60 cm) accounted for 50% of biomass and are important carbon reservoirs. Carbon stock foregone by harvesting of 12–52% demonstrated the mitigation potential. Estimated carbon gain by protecting, restoring and ongoing growth of existing forests equated to 309 megatons carbon dioxide equivalents per year, additional to, and higher than, the current forest sink, and comparable to the Green Deal 2030 target for carbon dioxide removals.
Conserved role of hnRNPL in alternative splicing of epigenetic modifiers enables B cell activation
Authors: Subramani Poorani Ganesh , Fraszczak Jennifer , Helness Anne , Estall Jennifer L , Möröy Tarik , Di Noia Javier M
Published: May 2024

The multifunctional RNA-binding protein hnRNPL is implicated in antibody class switching but its broader function in B cells is unknown. Here, we show that hnRNPL is essential for B cell activation, germinal center formation, and antibody responses. Upon activation, hnRNPL-deficient B cells show proliferation defects and increased apoptosis. Comparative analysis of RNA-seq data from activated B cells and another eight hnRNPL-depleted cell types reveals common effects on MYC and E2F transcriptional programs required for proliferation. Notably, while individual gene expression changes are cell type specific, several alternative splicing events affecting histone modifiers like KDM6A and SIRT1, are conserved across cell types. Moreover, hnRNPL-deficient B cells show global changes in H3K27me3 and H3K9ac. Epigenetic dysregulation after hnRNPL loss could underlie differential gene expression and upregulation of lncRNAs, and explain common and cell type-specific phenotypes, such as dysfunctional mitochondria and ROS overproduction in mouse B cells. Thus, hnRNPL is essential for the resting-to-activated B cell transition by regulating transcriptional programs and metabolism, at least in part through the alternative splicing of several histone modifiers.
Electron transport chain capacity expands yellow fever vaccine immunogenicity
Authors: Mok Darren ZL , Tng Danny JH , Yee Jia Xin , Chew Valerie SY , Tham Christine YL , Ooi Justin SG , Tan Hwee Cheng , Zhang Summer L , Lin Lowell Z , Ng Wy Ching , Jeeva Lavanya Lakshmi , Murugayee Ramya , Goh Kelvin K-K , Lim Tze-Peng , Cui Liang , Cheung Yin Bun , Ong Eugenia Z , Chan Kuan Rong , Ooi Eng Eong , Low Jenny G
Published: May 2024

Vaccination has successfully controlled several infectious diseases although better vaccines remain desirable. Host response to vaccination studies have identified correlates of vaccine immunogenicity that could be useful to guide development and selection of future vaccines. However, it remains unclear whether these findings represent mere statistical correlations or reflect functional associations with vaccine immunogenicity. Functional associations, rather than statistical correlates, would offer mechanistic insights into vaccine-induced adaptive immunity. Through a human experimental study to test the immunomodulatory properties of metformin, an anti-diabetic drug, we chanced upon a functional determinant of neutralizing antibodies. Although vaccine viremia is a known correlate of antibody response, we found that in healthy volunteers with no detectable or low yellow fever 17D viremia, metformin-treated volunteers elicited higher neutralizing antibody titers than placebo-treated volunteers. Transcriptional and metabolomic analyses collectively showed that a brief course of metformin, started 3 days prior to YF17D vaccination and stopped at 3 days after vaccination, expanded oxidative phosphorylation and protein translation capacities. These increased capacities directly correlated with YF17D neutralizing antibody titers, with reduced reactive oxygen species response compared to placebo-treated volunteers. Our findings thus demonstrate a functional association between cellular respiration and vaccine-induced humoral immunity and suggest potential approaches to enhancing vaccine immunogenicity.
Fluorescent small molecule donors
Authors: Chen Guang , Yu Jing , Wu Luling , Ji Xinrui , Xu Jie , Wang Chao , Ma Siyue , Miao Qing , Wang Linlin , Wang Chen , Lewis Simon E. , Yue Yanfeng , Sun Zhe , Liu Yuxia , Tang Bo , James Tony D.
Published: May 2024

Recent progress in the molecular design, structural classification, mechanisms of generation, triggered release, structure–activity relationships, and fluorescence response mechanism of fluorescent small molecule donors is discussed.
Feeding secondary fermentations with mammalian and fungal culture waste streams increases productivity and resource efficiency
Authors: Lynch Ciara D , Cerrone Federico , O'Connor Kevin E. , O'Connell David J.
Published: May 2024

Spent media recycling from distinct culture systems feeding secondary fermentations increases productivity and resource efficiency.
A thiol-anchored solvatochromic and fluorogenic molecular rotor for covalent protein labeling in SDS-PAGE and mitochondria specific fluorescence imaging
Authors: Wang Chao , Wang Yujie , Feng Mengxiang , Yuan Rongrong , Chen Guang
Published: May 2024

A fluorescent molecular rotor DASPBCl sensitive to viscosity and polarity was developed for covalent protein labeling in SDS-PAGE and mitochondria specific fluorescence imaging by anchoring to the thiol of proteins.
Modifying carbon dots with l-phenylalanine for rapid discrimination of tryptophan enantiomers
Authors: Lang Bozhi , Ma Wenming , Liao Xuan , Duan Yaning , Ren Cuiling , Chen Hongli
Published: May 2024

New chiral carbon dots l-PCDs for rapid discrimination of tryptophan enantiomers were prepared by modifying carbon dots with l-phenylalanine.
Fabrication and characterization of magnetic mesoporous nanoparticles for efficient determination and magnetic separation of sulfonamides in food samples
Authors: Zhang Mengmeng , Wang Wei , Wu Lili , Zhang Zulei , Wang Hongmei , Guo Liping , Cheng Ruobing
Published: May 2024

The magnetic adsorbent demonstrated good adsorption ability and excellent recovery and reusability.
Platelike carbon-encapsulated nickel nanocrystals for efficient electrooxidation of 5-hydroxymethylfurfural
Authors: Sang Ting , Xu Hui , Wang Wenke , Ji Dongfang , Hao Jingcheng , Li Zhonghao
Published: May 2024

Platelike carbon-encapsulated nickel nanocrystals (Ni@C) were designed as an efficient electrocatalyst for conversion of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA).
Functional modulators and missing-linker defects realize high proton conductivity in UiO-66-Hf metal–organic frameworks
Authors: Fang Fang , Wang Peng , Zhang Zhen , Zhang Suo-Shu , Guo Yuan-Yuan , Wang Shu-Yu , Du Lin , Zhao Qi-Hua
Published: May 2024

Defects and functional groups on ligands in metal organic frameworks affect porosity and surface area, which successively impacts the proton mobility.
Advanced theoretical design of light-driven molecular rotary motors: enhancing thermal helix inversion and visible-light activation
Authors: Shi Weiliang , Ma Jianzheng , Jiang Chenwei , Taketsugu Tetsuya
Published: May 2024

We have introduced a new light-driven molecular rotary motor, achieving two crucial advancements: reducing the thermal helix inversion barrier and extending the absorption wavelength into the visible spectrum.
Thermodynamics of resonating-valence-bond states toward the understanding of quantum spin liquid phenomena
Authors: López-Urías Florentino , Rubio-Ponce Alberto , Muñoz-Sandoval Emilio , Sánchez-Ochoa Francisco
Published: May 2024

The Hubbard model was used to investigate the thermodynamic properties of the centered hexagon nanoclusters. The systems showed resonating valence bond states and inverse magnetocaloric effect.
COMPAS-3: a dataset of peri-condensed polybenzenoid hydrocarbons
Authors: Wahab Alexandra , Gershoni-Poranne Renana
Published: May 2024

A new dataset of peri-condensed polybenzenoids reveals discrepancies between xTB and DFT calculations and provides new insights into structure–property relationships.
Electron correlation effects on uranium isotope fractionation in U(vi)–U(vi) and U(iv)–U(vi) equilibrium isotopic exchange systems
Authors: Sato Ataru , Hada Masahiko , Abe Minori
Published: May 2024

U isotope fractionation coefficients were calculated using relativistic electron correlation methods. B3LYP calculations for U(vi)–U(vi) systems agree with experiments, while describing open-shell U(iv) states remains challenging for all the methods.
Dissociation of HNO3 in water revisited: experiment and theory
Authors: Munar Ipek , Özer Melike Özkan , Fusco Edoardo , Uner Deniz , Aviyente Viktorya , Bühl Michael
Published: May 2024

Nitric acid dissociation in water is studied as a function of concentration, employing experimental techniques (1H NMR spectroscopy and calorimetry), quantum chemical methods and molecular dynamics simulations.
Vitamin B1-based thiazol-2-ylidene–Ru(ii) complexes: recyclable transfer hydrogenation catalysts in water
Authors: Kılınçarslan Rafet , Tuncer Hayriye , Özdemir Namık , Çetinkaya Bekir
Published: May 2024

In order to develop recyclable catalyst in water, vitamin B1 based Ru(ii)-NHC complexes (2–4) were synthesized and evaluated for transfer hydrogenation of ketones and aldehydes with an azeotropic mixture of HCOOH/Et3N in water. The complex,4 exhibited excellent catalytic activity and recyclability.
MIL-101(Cr)/aminoclay nanocomposites for conversion of CO2 into cyclic carbonates
Authors: Jyoti  , Kumari Sarita , Chakraborty Samiran , Kanoo Prakash , Kumar Vinod , Chakraborty Anindita
Published: May 2024

We present the use of an amine functionalized 2D aminoclay (AC), in MOF chemistry to prepare MIL-101(Cr)/AC composites, which are exploited as catalysts for efficient conversion of CO2 into cyclic carbonates at ambient reaction conditions.
Unravelling co-catalyst integration methods in Ti-based metal–organic gels for photocatalytic H2 production
Authors: Perfecto-Irigaray Maite , Beobide Garikoitz , Castillo Oscar , Allan Michael G. , Kühnel Moritz F. , Luque Antonio , Singh Harishchandra , Yadav Ashok Kumar , Pérez-Yáñez Sonia
Published: May 2024

The synthesis, characterization and photocatalytic hydrogen evolution performance of metal-organic gels made from Ti(IV)-oxo clusters and dicarboxylato linkers are reported, assessing the effect of in situ or ex situ inclusion of Pt as a co-catalyst.
Hole-transporting alternating copolymers for perovskite solar cells: thia[5]helicene comonomer outperforms planar perylothiophene analog
Authors: He Lifei , Zhang Yuyan , Zhang Bing , Li Tianyu , Cai Yaohang , Ren Ming , Zhang Jing , Wang Peng , Yuan Yi
Published: May 2024

Compared to planar perylothiophene, thiahelicene has been demonstrated as a superior co-monomer for crafting a high-performance semiconducting polymer in n–i–p perovskite solar cells.
Unveiling microplastics pollution in Alaskan waters and snow
Authors: Dev Subhabrata , Schwarz Davis , Rashedin Muradur , Hasan Md Ibnul , Kholodova Darya , Billings Shane , Barnes David L. , Misarti Nicole , Saleh Navid B. , Aggarwal Srijan
Published: May 2024

While microplastics (MPs) are globally prevalent in marine environments, including the Arctic and sub-Arctic, the extent and distribution of MPs in terrestrial water bodies and drinking water sources, in these areas remain unknown.
Ginsenoside compound K plays an anti-inflammatory effect without inducing glucose metabolism disorder in adjuvant-induced arthritis rats
Authors: Mao Lijuan , Liu Lili , Li Jun , Yang Xingyue , Xu Xiujin , Liu Mengxue , Zhang Yanqiu , Wei Wei , Chen Jingyu
Published: May 2024

Ginsenoside compound K (GCK) has a glucocorticoid (GC)-like structure and functions as an agonist of the glucocorticoid receptor (GR), exerting anti-inflammatory effects without causing hyperglycemic adverse effects.
An in situ generated proton initiated aromatic fluoroalkylation via electron donor–acceptor complex photoactivation
Authors: Huang Panyi , Lv Chun , Song Haijing , Wang Chenjing , Du Junze , Li Jianjun , Sun Bin , Jin Can
Published: May 2024

In situ-generated protonated aromatic hydrocarbons overcome their intrinsic electronic properties to serve as catalytic electron acceptors, avoiding the use of photocatalysts, metals, and redox reagents to achieve fluoroalkylation.
Functional polysaccharide-coated SPIONs for in vitro mRNA delivery in breast cancer cells
Authors: Tsave Olga , Psarrou Maria , Kastrinaki Georgia , Papachristou Eleni , Papi Rigini , Zaspalis Vassilios , Nalbandian Lori , Sarafidis Charalampos , Choli-Papadopoulou Theodora , Vamvakaki Maria , Chatzidoukas Christos
Published: May 2024

Modified polysaccharide coated SPIONs for effective gene delivery. Comparison of covalent vs. ionic binding of a nucleic acid onto the SPIONs for mRNA-delivery – synthesis and physicochemical and biological assessment of functionalized SPIONs.
Carbon dot as fluorescence sensor for glutathione in human serum samples: a review
Authors: Kayani Kawan F. , Mohammed Sewara J. , Ghafoor Dlzar , Rahim Mohammed K. , Ahmed Harez Rashid
Published: May 2024

The study on carbon dot fluorescence sensors for glutathione in human serum samples, the sensors classified CD fluorescent probes into three categories: single emission probes of CDs, ratiometric sensing probes of CDs, and visual detection of CDs.
Converting commercial-grade silicone into a vitrimer using elemental sulfur
Authors: Rokni Mahsaalsadat , Park Kun Woo , Ho Leung Wing , Zujovic Zoran , Leitao Erin M.
Published: May 2024

Dynamic S–S bonds are incorporated into silicone, making it repairable, which presents an environmentally friendly approach to minimising silicone waste.
Tricolour luminescence in an Au(i) complex controlled by polymorphism and mechanical stress
Authors: Furoida Andriani , Daitani Misato , Matsumoto Kohsuke , Hisano Kyohei , Tsutsumi Osamu
Published: May 2024

A rod-like Au(i) complex, CP, has a cyclohexylphenyl ethynyl ligand and exhibits tricolour luminescence that is controlled by polymorphism and mechanical stress. Additionally, CP demonstrates liquid crystalline behavior, in which RTP can be observed.
Synergistic interaction between NiPt nanoparticles and phosphorus-doped graphene support boosts hydrogen generation from hydrazine borane
Authors: Wang Junnuan , Liu Yubo , Shang Henan , Qin Ze , Fan Qiuyue , Yue Dewu , Li Sijia
Published: May 2024

The Ni0.6Pt0.4/P-rGO catalyst exhibits excellent catalytic activity and recycling stability for hydrazine borane dehydrogenation at 323 K.
The reversible piezochromic luminescence behavior of carbon dots under a cycle of loading/unloading pressure
Authors: Liu Lele , Ma Menghui , Jiang Lei , Li Zijian , Osipov Vladimir Yu. , Geng Ting , Xiao Guanjun , Bi Hong
Published: May 2024

The reversible piezochromic behavior of carbon dots (M-CDs) during the cycle of loading/unloading pressure of 101 kPa to 20 GPa.
Electrochemical synthesis of sulfinic and sulfonic esters from sulfonyl hydrazides
Authors: Kim Suji , Lee Sunwoo
Published: May 2024

Electrochemical synthesis of sulfinic and sulfonic esters from sulfonyl hydrazides yields insights into radical-mediated pathways, optimizing ester production.
Brønsted acid catalyzed Ficini [2 + 2] cycloaddition of ynamides with enones
Authors: Chen Jinyue , Wang Nanfang , Qi Chaofan , Chang Junbiao , Wang Xiao-Na
Published: May 2024

A novel metal-free Brønsted acid-catalyzed Ficini [2 + 2] cycloaddition of ynamides with enones under mild reaction conditions was described.
Iridium-catalyzed reductive β-alkylation of (iso)quinoline derivatives by an in situ enone-trapping strategy
Authors: Sun Yanping , Chen Jianjie , Zhang Min
Published: May 2024

Here, we report an iridium-catalyzed reductive β-alkylation of (iso)quinolinium salts with β-chloro ketones, which offers an important complement to the synthesis of functionalized (iso)tetrahydroquinolines.
Enzyme-activatable charge transfer in gold nanoclusters
Authors: Deng Hao-Hua , Huang Kai-Yuan , Zhong Yu , Li Ye , Huang Hong-Xiang , Fang Xiang-Yu , Sun Wei-Ming , Yao Qiaofeng , Chen Wei , Xie Jianping
Published: May 2024

We report herein a new kind of water-soluble gold nanoclusters (AuNCs) for enzyme-activatable charge transfer, based on the ligand engineering of AuNCs with 6-mercaptopurine ribonucleoside (MPR).
Inferring causal protein signalling networks from single‐cell data based on parallel discrete artificial bee colony algorithm
Authors: Liu Jinduo , Zhai Jihao , Ji Junzhong
Published: May 2024

Inferring causal protein signalling networks from human immune system cell data is a promising approach to unravel the underlying tissue signalling biology and dysfunction in diseased cells, which has attracted considerable attention within the bioinformatics field. Recently, Bayesian network (BN) techniques have gained significant popularity in inferring causal protein signalling networks from multiparameter single‐cell data. However, current BN methods may exhibit high computational complexity and ignore interactions among protein signalling molecules from different single cells. A novel BN method is presented for learning causal protein signalling networks based on parallel discrete artificial bee colony (PDABC), named PDABC. Specifically, PDABC is a score‐based BN method that utilises the parallel artificial bee colony to search for the global optimal causal protein signalling networks with the highest discrete K2 metric. The experimental results on several simulated datasets, as well as a previously published multi‐parameter fluorescence‐activated cell sorter dataset, indicate that PDABC surpasses the existing state‐of‐the‐art methods in terms of performance and computational efficiency.
A coding scheme to force the eavesdropper falling in error avalanche
Authors: Zhao Hang , Hu Aiqun , Yu Jiabao
Published: May 2024

In recent years, key generation schemes based on the reciprocity of wireless channels have gained widespread attention in the field of wireless physical layer security. However, due to the openness of wireless channels, eavesdroppers may obtain partial legitimate keys by eavesdropping on the wireless channel. To address this issue, this paper proposes a wireless channel coding scheme that induces an “avalanche” of errors for eavesdroppers, which could maximize eavesdropper's bit error rate. The design of this scheme is based on the significant differences between the eavesdropping channel and the legitimate channel, and the average bit key disagreement ratio of the keys generated by the legitimate channel is around 8%. The scheme selects polar codes with strong error correction capabilities and chooses a coding rate matching the error level of the legitimate channel, forcing the eavesdropping channel's error rate into an “avalanche” state, where the error rate approaches 50%. This paper presents the structure of the encoder and determines the coding rate through simulation. Simulation results demonstrate that this scheme can significantly degrade the error rate of the eavesdropping channel while ensuring the prevention of eavesdroppers from obtaining secret information transmitted through the legitimate channel.
Dual‐ and triple‐passband coupled‐complementary FSSs based on the four‐arms star geometry
Authors: F. Mamedes Deisy , Bornemann Jens , Gomes Neto Alfredo , M. Sales Filho Sérgio L.
Published: May 2024

The authors propose a system of closely coupled‐complementary frequency‐selective surfaces (FSSs) based on the four‐arms star geometry with dual‐ and triple‐passbands responses for 5G applications. Four complementary structure configurations are presented, and depending on the chosen configuration, the structure can create two or three transmission bands in one or both polarisations of the electromagnetic waves. The designed FSSs are compact and have stable behaviour at different incident angles. The complementary FSS passes signals around 2.6 and 6.2 GHz, and a structural offset allows the transmission at a third frequency (4.2 GHz). To validate the proposed designs, four prototypes are fabricated and measured. Numerical and experimental characterisations are in good agreement.
Evidence of Pop III stars’ chemical signature in neutral gas at z ∼ 6
Authors: Sodini Alessio , D’Odorico Valentina , Salvadori Stefania , Vanni Irene , Bischetti Manuela , Cupani Guido , Davies Rebecca , Becker George D. , Bañados Eduardo , Bosman Sarah , Davies Frederick , Paolo Farina Emanuele , Ferrara Andrea , Keating Laura , Kulkarni Girish , Lai Samuel , Ryan-Weber Emma , Maria Sebastian Alma , Walter Fabian
Published: May 2024

Aims. This study explores the metal enrichment signatures attributed to the first generation of stars (Pop III) in the Universe, focusing on the E-XQR-30 sample – a collection of 42 high signal-to-noise ratio spectra of quasi-stellar objects (QSOs) with emission redshifts ranging from 5.8 to 6.6. We aim to identify traces of Pop III metal enrichment by analyzing neutral gas in the interstellar medium of primordial galaxies and their satellite clumps, detected in absorption.

Methods. To chase the chemical signature of Pop III stars, we studied metal absorption systems in the E-XQR-30 sample, selected through the detection of the neutral oxygen absorption line at 1302 Å. The O I line is a reliable tracer of neutral hydrogen and allowed us to overcome the challenges posed by the Lyman-α forest’s increasing saturation at redshifts above ∼5 to identify damped Lyman-α systems (DLAs). We detected and analyzed 29 O I systems at z ≥ 5.4, differentiating between proximate DLAs (PDLAs) and intervening DLAs. Voigt function fits were applied to obtain ionic column densities, and relative chemical abundances were determined for 28 systems. These were then compared with the predictions of theoretical models.

Results. Our findings expand the study of O I systems at z ≥ 5.4 fourfold. No systematic differences were observed in the average chemical abundances between PDLAs and intervening DLAs. The chemical abundances in our sample align with literature systems at z >  4.5, suggesting a similar enrichment pattern for this class of absorption systems. A comparison between these DLA-analogs at 4.5 <  z <  6.5 with a sample of very metal-poor DLAs at 2 <  z <  4.5 shows in general similar average values for the relative abundances, with the exception of [C/O], [Si/Fe] and [Si/O] which are significantly larger for the high-z sample. Furthermore, the dispersion of the measurements significantly increases in the high-redshift bin. This increase is predicted by the theoretical models and indicates a potential retention of Pop III signatures in the probed gas.

Conclusions. This work represents a significant advancement in the study of the chemical properties of highly neutral gas at z ≥ 5.4, shedding light on its potential association with the metal enrichment from Pop III stars. Future advancements in observational capabilities, specifically high-resolution spectrographs, are crucial for refining measurements and addressing current limitations in the study of these distant absorption systems.
CFD analysis and optimization of axial flow fans
Authors: Liu Renhui , Xu Shubo , Sun Kangwei , Ju Xiaoyu , Zhang Weihai , Wang Wenming , Ma Xiquan , Pan Yuefei , Li Jianing , Ren Guocheng
Published: May 2024

The axial fan plays a vital role in the safe production of the mine, and in this paper, a mine axial flow ventilator is designed through numerical simulation to meet the demand of air exchange inside and outside of the mine, so as to maintain the oxygen supply of the mine and discharge the harmful gases. Finite element analysis of four structural factors of axial fan blade installation angle, number of blades, deflector plate, rotational speed, drawing fan wind pressure and rotational speed cloud diagram, calculation of axial power, by analyzing the distribution of the cloud diagram to design the shape of the fan blade, and derive the change rule of the wind pressure when changing the structure of the fan. By using gradient descent method to control the percentage of imported mass flow rate, the P-Q performance curve of the fan is obtained, which optimizes its aerodynamic performance, improves efficiency, and extends its service life.
Psychedelika in der Psychiatrie
Authors: Herwig Uwe
Published: May 2024

Psychedelika stoßen in der Psychiatrie auf ein erneut zunehmendes fachliches und wissenschaftliches Interesse. Nach einer intensiveren Phase des Einsatzes im psychotherapeutischen Kontext Mitte des letzten Jahrhunderts kam die Forschung in dem Bereich nach gesetzlichen Verboten weitestgehend zum Erliegen. Erst seit wenigen Jahren wird das klinische Potenzial wieder mit modernen wissenschaftlichen Methoden erforscht. Die Eigenschaft der Psychedelika, qualitativ veränderte Bewusstseinszustände mit auch psychodynamischen Erfahrungen und Erkenntnissen hervorzurufen, legt die Möglichkeit nahe, sie zur Unterstützung von psychotherapeutischen Prozessen zu nutzen. Bisherige Indikationsgebiete von klinischen Studien betreffen vor allem den Einsatz bei therapieresistenten Depressionen, aber auch bei posttraumatischen Belastungsstörungen und Alkoholabhängigkeit. Allerdings muss festgehalten werden, dass eine spezifische Psychedelika-Psychotherapie im engeren Sinnen noch nicht erforscht wird. Neben dem Ausbau der Evidenzlage ist in diesem Feld noch einiges vor einem eventuellen breiteren klinischen Einsatz zu erarbeiten.
Evaluation of Peripheral Lymphadenopathies in Children in a Single
Center: Predictive Factors for Malignancy
Authors: Işık Pamir , Belen Apak Fatma Burcu , Demir Tuğba Acer
Published: May 2024

Background Lymphadenopathy (LAP) is a common finding in pediatric
patients. It was aimed to determine predictive factors in distinguishing cases
with malignant or benign lymphadenopathy in this study.

Subjects and methods Between January 2022 and January 2023, 101 patients
(1-16 years old) with lymphadenopathy were retrospectively examined.

Results LAP was localized in 80.2% (n=81) cases and generalized in 19.8%
(n=20) cases. In 60 cases (59.4%), lymph node sizes were found to be greater
than 20×20 mm in width and length. The most common infectious causative agent
was Epstein Barr Virus (EBV). Seven (6.9%) patients underwent biopsy and all
were diagnosed with malignancy. When the benign and malignant groups were
compared, age, lymph node length, and width on physical examination,
anteroposterior and longitudinal diameter of the lymph node on ultrasonography
(USG) were statistically significantly higher in the malignant group
(p<0.05). The presence of supraclavicular lymphadenopathy was found to be an
important factor in differentiating the malignant group (p<0.003). The most
important factors in distinguishing the groups are respectively were the
anteroposterior diameter of the lymph node on ultrasonography and the presence
supraclavicular lymph node in multivariate logistic regression analysis.

Conclusion It is not always easy to distinguish benign and malignant
etiologies in patients with lymphadenopathy. A detailed history, a careful
physical examination, laboratory studies, and excisional biopsy are guiding.
Substanz und Modalität
Authors: Bublitz Christoph , Böllinger Lorenz
Published: May 2024

Modelle für die künftige Regulierung von psychologischen oder psychiatrischen Behandlungen mit Psychedelika werden derzeit international diskutiert. Dabei wird nicht immer hinreichend beachtet, dass medizinische Therapieformen nicht einheitlich, sondern durch ein Netz aus Normen auf unterschiedlichen Ebenen reguliert werden, von völkerrechtlichen Verträgen über das Arzneimittelgesetz bis zum psychotherapeutischen Berufsrecht, die sich zudem von Land zu Land unterscheiden können. Dieser Aufsatz verschafft einen Überblick über die tangierten Ebenen sowie zentrale zu klärende Fragen aus deutscher Perspektive. Schwerpunkte liegen auf möglichen Schwierigkeiten der Arzneimittelzulassung von Psychedelika aufgrund der besonderen Kombination der Wirkungen von psychedelischer Substanz und psychotherapeutischer Behandlungsmodalität, Möglichkeiten zur Beschränkung der Verschreibungsfähigkeit, Aspekte des Off-label-Einsatzes sowie der Regulierung der Psychotherapie. Zudem werden erste Vorschläge für offene Regulierungsfragen unterbreitet.