bluuebunny/crossref_metadata_2025 huggingface dataset:
Clinical impact of lymphocyte/C-reactive protein ratio on postoperative outcomes in patients with rectal cancer who underwent curative resection
Authors: Yamamoto Takehito , Fukuda Meiki , Okuchi Yoshihisa , Oshimo Yoshiki , Nishikawa Yuta , Hisano Koji , Kawai Takayuki , Iguchi Kohta , Okuda Yukihiro , Kamimura Ryo , Tanaka Eiji , Terajima Hiroaki
Published: October 2022

Cancer-related systemic inflammation influences postoperative outcomes in cancer patients. Although the relationship between inflammation-related markers and postoperative outcomes have been investigated in many studies, their clinical significance remains to be elucidated in rectal cancer patients. We focused on the lymphocyte count/C-reactive protein ratio (LCR) and its usefulness in predicting short- and long-term outcomes after rectal cancer surgery. Patients with rectal cancer who underwent curative resection at our institution between 2010 and 2018 were enrolled in this study. We comprehensively compared the effectiveness of 11 inflammation-related markers, including LCR and other clinicopathological characteristics, in predicting postoperative complications and survival. Receiver operating characteristic curve analysis indicated that LCR had the highest area under the curve value for predicting the occurrence of postoperative complications. In the multivariate analysis, male sex (odds ratio [OR]: 2.21, 95% confidence interval [CI] 1.07–4.57, P = 0.031), low tumor location (OR: 2.44, 95% CI 1.23–4.88, P = 0.011), and low LCR (OR: 3.51, 95% CI 1.63–7.58, P = 0.001) were significantly and independently associated with the occurrence of postoperative complications. In addition, multivariate analysis using Cox’s proportional hazard regression model for the prediction of survival showed that low LCR (≤ 12,600) was significantly associated with both poor overall survival (hazard ratio [HR]: 2.07, 95% CI 1.03–4.15, P = 0.041) and recurrence-free survival (HR: 2.21, 95% CI 1.22–4.01, P = 0.009). LCR is a useful marker for predicting both short- and long-term postoperative outcomes in rectal cancer patients who underwent curative surgery.
A new obligate CXCL4–CXCL12 heterodimer for studying chemokine heterodimer activities and mechanisms
Authors: Nguyen Khanh T.P. , Volkman Brian , Dréau Didier , Nesmelova Irina V.
Published: October 2022

Chemokines form a family of proteins with critical roles in many biological processes in health and disease conditions, including cardiovascular, autoimmune diseases, infections, and cancer. Many chemokines engage in heterophilic interactions to form heterodimers, leading to synergistic activity enhancement or reduction dependent on the nature of heterodimer-forming chemokines. In mixtures, different chemokine species with diverse activities coexist in dynamic equilibrium, leading to the observation of their combined response in biological assays. To overcome this problem, we produced a non-dissociating CXCL4–CXCL12 chemokine heterodimer OHD4–12as a new tool for studying the biological activities and mechanisms of chemokine heterodimers in biological environments. Using the OHD4–12, we show that the CXCL4–CXCL12 chemokine heterodimer inhibits the CXCL12-driven migration of triple-negative MDA-MB-231 breast cancer cells. We also show that the CXCL4–CXCL12 chemokine heterodimer binds and activates the CXCR4 receptor.
Association between changes in pancreatic morphology and vascular complications in subjects with type 2 diabetes mellitus: a retrospective study
Authors: Iwamoto Yuichiro , Kimura Tomohiko , Tatsumi Fuminori , Sugisaki Toshitomo , Kubo Masato , Nakao Erina , Dan Kazunori , Wamata Ryo , Iwamoto Hideyuki , Takahashi Kaio , Sanada Junpei , Fushimi Yoshiro , Katakura Yukino , Shimoda Masashi , Nakanishi Shuhei , Mune Tomoatsu , Kaku Kohei , Kaneto Hideaki
Published: October 2022

Decreased pancreatic volume, increased pancreatic fat mass, and serrated pancreatic margins are characteristic morphological changes of the pancreas in subjects with type 2 diabetes mellitus. This retrospective study aimed to clarify the clinical significance of pancreatic morphological changes in subjects with type 2 diabetes mellitus who underwent abdominal magnetic resonance imaging. The mean age and HbA1c value were 59.1 ± 16.3 years old and 8.9 ± 2.3%, respectively. Pancreatic body mass corrected for body surface area (BSA) in subjects with diabetes mellitus was lower compared to those in normal glucose tolerance (49.4 ± 15.3 cm3 vs. 60.9 ± 7.8 cm3), although it did not reach a statistic significance. There was a negative correlation between BSA-corrected pancreatic volume and age, duration of diabetes, glycoalbumin, mean and max IMT, and there was a positive correlation between BSA-corrected pancreatic volume and HOMA2-β. Serration of the pancreatic limbus was more often observed in subjects with diabetes mellitus compared to those in normal glucose tolerance (74.1% vs. 14.3%). Subjects with serrated changes were older and had higher HbA1c, and visceral fat area was significantly larger in subjects with serrated changes. BSA-corrected pancreatic volume in subjects with serrated changes was significantly smaller, and mean IMT was significantly thicker in subjects with serrulation. Furthermore, advanced diabetic retinopathy and diabetic nephropathy were more often observed in subjects with serrated changes. Taken together, decreased BSA-corrected pancreatic volume and serrated changes were associated with the progression of vascular complications in subjects with type 2 diabetes mellitus.
Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria
Authors: Jeter Victoria L. , Schwarzwalder Anne H. , Rayment Ivan , Escalante-Semerena Jorge C.
Published: October 2022

Cobamides (Cbas) are coenzymes used by cells across all domains of life, but de novo synthesis is only found in some bacteria and archaea. Five enzymes assemble the nucleotide loop in the alpha phase of the corrin ring. Condensation of the activated ring and nucleobase yields adenosyl-Cba 5′-phosphate, which upon dephosphorylation yields the biologically active coenzyme (AdoCba). Base activation is catalyzed by a phosphoribosyltransferase (PRTase). The structure of the Salmonella enterica PRTase enzyme (i.e., SeCobT) is well-characterized, but archaeal PRTases are not. To gain insights into the mechanism of base activation by the PRTase from Methanocaldococcus jannaschii (MjCobT), we solved crystal structures of the enzyme in complex with substrate and products. We determined several structures: (i) a 2.2 Å structure of MjCobT in the absence of ligand (apo), (ii) structures of MjCobT bound to nicotinate mononucleotide (NaMN) and α-ribazole 5′-phosphate (α-RP) or α-adenylyl-5′-phosphate (α-AMP) at 2.3 and 1.4 Å, respectively. In MjCobT the general base that triggers the reaction is an aspartate residue (Asp 52) rather than a glutamate residue (E317) as in SeCobT. Notably, the dimer interface in MjCobT is completely different from that observed in SeCobT. Finally, entry PDB 3L0Z does not reflect the correct structure of MjCobT.
Risk factors for stroke recurrence in patients with hemorrhagic stroke
Authors: Wong Yi-Sin , Tsai Ching-Fang , Ong Cheung-Ter
Published: October 2022

The risk factors for recurrence of hemorrhagic or ischemic stroke in patients with intracranial hemorrhage (ICH) are inconclusive. This study was designed to investigate the risk factors for stroke recurrence and the impact of antiplatelet on stroke recurrence in patients with ICH. This population-based case-cohort study analyzed the data obtained from a randomized sample of 2 million subjects in the Taiwan National Health Insurance Research Database. The survival of patients with hemorrhagic stroke from January 1, 2000, to December 31, 2013, was included in the study. During the 5-year follow-up period, the recurrence rate of stroke was 13.1% (7.01% hemorrhagic stroke, and 6.12% ischemic stroke). The recurrence rate of stroke was 13.3% in the without antiplatelet group and 12.6% in the antiplatelet group. The risk factor for hemorrhagic stroke was hypertension (OR 1.87). The risk factors for ischemic stroke were age (OR 2.99), diabetes mellitus (OR 1.28), hypertension (OR 2.68), atrial fibrillation (OR 1.97), cardiovascular disease (OR 1.42), and ischemic stroke history (OR 1.68). Antiplatelet may decrease risk of hemorrhagic stroke (OR 0.53). The risk of stroke recurrence is high in patients with ICH. Hypertension is a risk factor for ischemic and hemorrhagic stroke recurrence. Antiplatelet therapy does not decrease risk of ischemic stroke recurrence but may reduce recurrence of hemorrhagic stroke.
Effect of passive solar drying on food security in rural Mozambique
Authors: Matavel Custodio , Kächele Harald , Steinke Jonathan , Rybak Constance , Hoffmann Harry , Salavessa João , Sieber Stefan , Müller Klaus
Published: October 2022

Achieving food security in Mozambique is critical, since 80% of the population cannot afford an adequate diet. While increasing agricultural production is a necessary effort to address this challenge, inadequate post-harvest treatment leads to storage losses and quality degradation, with repercussions for food security. The use of solar drying is promoted as a solution to provide efficient and reliable access to food preservation that improves the food security situation in rural communities. However, there is a lack of clear evidence on how the use or access to solar drying affects food security. This study identifies the determinants of farmers’ choice to use solar drying and evaluates the effect of a passive solar dryer on food security using survey data from 634 households. We allocated solar dryers to selected communities and all interested individuals belonging to these communities were eligible to use it. Propensity score matching and endogenous switching poisson regression are used to estimate the average effect. The use of solar drying with associated training significantly increases the food security status of participants by increasing household food availability, women’s dietary diversity, and months of adequate household food provision and by decreasing the household food insecurity access scale.
Multiple types of programmed necrosis such as necroptosis, pyroptosis, oxytosis/ferroptosis, and parthanatos contribute simultaneously to retinal damage after ischemia–reperfusion
Authors: Dvoriantchikova Galina , Lypka Karin Rose , Adis Emily Victoria , Ivanov Dmitry
Published: October 2022

Ischemia–reperfusion (IR) injury is implicated in a large array of pathological conditions in the retina. Increasing experimental evidence suggests that programmed necrosis makes a significant contribution to inflammation and retinal damage triggered by IR. Since there are many types of programmed necrosis, it is important to identify those involved in retinal IR to determine the correct treatment. To this end, we used a mouse model of retinal IR and a variety of approaches including RNA-seq data analysis. Our RNA-seq data revealed the rapid development of ischemic pathology in the retina during the first 24 h after reperfusion. We found that at least four types of programmed necrosis including necroptosis, pyroptosis, oxytosis/ferroptosis, and parthanatos are simultaneously involved in retinal IR. Our data suggest that the high activity of the TNF pathway at the early stage of retinal IR leads to early activation of necroptosis while significant activity of other types of programmed necrosis appears later. Our results indicate that TNF, glutamate, and ferrous iron generated by Steap3 may be key players concurrently triggering at least necroptosis, oxytosis/ferroptosis, and parthanatos in ischemic retinal ganglion cells (RGCs). Thus, multiple signaling cascades involved in programmed necrosis should be synchronously targeted for therapeutic purposes to treat retinal IR.
Three-year migration analysis of a new metaphyseal anchoring short femoral stem in THA using EBRA-FCA
Authors: Reinbacher Patrick , Smolle Maria Anna , Friesenbichler Joerg , Draschl Alexander , Leithner Andreas , Maurer-Ertl Werner
Published: October 2022

Cementless calcar-guided femoral short stems in total hip arthroplasty (THA) have become increasingly popular over the years. Early distal migration of femoral stems measured by Einzel-Bild-Roentgen Analyse, Femoral Component Analyse (EBRA-FCA) has been reported to be a risk factor for aseptic loosening. The aim of this study was to analyse axial migration behavior and subsidence of a new short stem (launched in 2015) over a follow-up period of 3 years. According to the study protocol, 100 hip osteoarthritis patients who consecutively received an unilateral cementless calcar-guided short stem (ANA.NOVA proxy) at a single department were prospectively included in this mid-term follow-up study. Thirteen patients were lost to follow-up, resulting in 87 patients with unilateral THA who fulfilled the criteria for migration analysis with EBRA-FCA. The cohort comprised 41 males (mean age: 60 ± 16.5; mean BMI (Body Mass Index): 30 ± 13) and 46 females (mean age: 61 ± 15.5; mean BMI: 27 ± 10). Seven standardized radiographs per patient were analyzed with EBRA-FCA. An average migration of 2.0 mm (0.95–3.35) was observed within the first 3 years. The median increase during the first year was higher than in the second and third year (1.2 mm [IQR: 0.5–2.15] vs. 0.3 mm [IQR: 0.1–0.6 mm] vs. 0.25 mm [IQR: 0.1–0.5 mm]. Detected migration did not lead to stem loosening, instability, dislocation, or revision surgery in any patient. A higher risk for subsidence was observed in male and heavyweight patients, whereas the female gender was associated with a lower risk. No correlation between migration and revision could be observed. Although moderate subsidence was detectable, the performance of the short stem ANA.NOVA proxy is encouraging. Yet, its use may be re-considered in overweight and male patients due to more pronounced subsidence.
Estimation of systolic blood pressure by Random Forest using heart sounds and a ballistocardiogram
Authors: Gonzalez-Landaeta Rafael , Ramirez Brenda , Mejia Jose
Published: October 2022

Cuffless blood pressure measurement enables unobtrusive and continuous monitoring that can be integrated with wearable devices to extend healthcare to non-hospital settings. Most of the current research has focused on the estimation of blood pressure based on pulse transit time or pulse arrival time using ECG or peripheral cardiac pulse signals as proximal time references. This study proposed the use of a phonocardiogram (PCG) and ballistocardiogram (BCG), two signals detected noninvasively, to estimate systolic blood pressure (SBP). For this, the PCG and the BCG were simultaneously measured in 21 volunteers in the rest, activity, and post-activity conditions. Different features were considered based on the relationships between these signals. The intervals between S1 and S2 of the PCG and the I, J, and K waves of the BCG were statistically analyzed. The IJ and JK slopes were also estimated as additional features to train the machine-learning algorithm. The intervals S1-J, S1-K, S1-I, J-S2, and I-S2 were negatively correlated with changes in SBP (p-val < 0.01). The features were used as explanatory variables for a regressor based on the Random Forest. It was possible to estimate the systolic blood pressure with a mean error of 3.3 mmHg with a standard deviation of ± 5 mmHg. Therefore, we foresee that this proposal has potential applications for wearable devices that use low-cost embedded systems.
Substantial differences in soil viral community composition within and among four Northern California habitats
Authors: Durham Devyn M , Sieradzki Ella T , ter Horst Anneliek M , Santos-Medellín Christian , Bess C Winston A , Geonczy Sara E , Emerson Joanne B
Published: October 2022

Viruses contribute to food web dynamics and nutrient cycles in diverse ecosystems, yet the biogeographical patterns that underlie these viral dynamics are poorly understood, particularly in soil. Here, we identified trends in soil viral community composition in relation to habitat, moisture content, and physical distance. We generated 30 soil viromes from four distinct habitats (wetlands, grasslands, woodlands, and chaparral) by selectively capturing virus-sized particles prior to DNA extraction, and we recovered 3432 unique viral ‘species’ (dsDNA vOTUs). Viral communities differed significantly by soil moisture content, with viral richness generally higher in wet compared to dry soil habitats. However, vOTUs were rarely shared between viromes, including replicates <10 m apart, suggesting that soil viruses may not disperse well and that future soil viral community sampling strategies may need to account for extreme community differences over small spatial scales. Of the 19% of vOTUs detected in more than one virome, 93% were from the same habitat and site, suggesting greater viral community similarity in closer proximity and under similar environmental conditions. Within-habitat differences indicate that extensive sampling would be required for rigorous cross-habitat comparisons, and results highlight emerging paradigms of high viral activity in wet soils and soil viral community spatial heterogeneity.
Mendelian randomization prioritizes abdominal adiposity as an independent causal factor for liver fat accumulation and cardiometabolic diseases
Authors: Gagnon Eloi , Pelletier William , Gobeil Émilie , Bourgault Jérôme , Manikpurage Hasanga D. , Maltais-Payette Ina , Abner Erik , Taba Nele , Esko Tõnu , Mitchell Patricia L. , Ghodsian Nooshin , Després Jean-Pierre , Vohl Marie-Claude , Tchernof André , Thériault Sébastien , Arsenault Benoit J.
Published: October 2022

Background

Observational studies have linked adiposity and especially abdominal adiposity to liver fat accumulation and non-alcoholic fatty liver disease. These traits are also associated with type 2 diabetes and coronary artery disease but the causal factor(s) underlying these associations remain unexplored.

Methods

We used a multivariable Mendelian randomization study design to determine whether body mass index and waist circumference were causally associated with non-alcoholic fatty liver disease using publicly available genome-wide association study summary statistics of the UK Biobank (n = 461,460) and of non-alcoholic fatty liver disease (8434 cases and 770,180 control). A multivariable Mendelian randomization study design was also used to determine the respective causal contributions of waist circumference and liver fat (n = 32,858) to type 2 diabetes and coronary artery disease.

Results

Using multivariable Mendelian randomization we show that waist circumference increase non-alcoholic fatty liver disease risk even when accounting for body mass index (odd ratio per 1-standard deviation increase = 2.35 95% CI = 1.31–4.22, p = 4.2e−03), but body mass index does not increase non-alcoholic fatty liver disease risk when accounting for waist circumference (0.86 95% CI = 0.54–1.38, p = 5.4e−01). In multivariable Mendelian randomization analyses accounting for liver fat, waist circumference remains strongly associated with both type 2 diabetes (3.27 95% CI = 2.89–3.69, p = 3.8e−80) and coronary artery disease (1.66 95% CI = 1.54–1.8, p = 3.4e−37).

Conclusions

These results identify waist circumference as a strong, independent, and causal contributor to non-alcoholic fatty liver disease, type 2 diabetes and coronary artery disease, thereby highlighting the importance of assessing body fat distribution for the prediction and prevention of cardiometabolic diseases.
Continuous size-based DEP separation of particles using a bi-gap electrode pair
Authors: Derakhshan Reza , Ramiar Abas , Ghasemi Amirhosein
Published: October 2022

The design, fabrication, and characterization of an advanced microfluidic device containing a bi-gap electrode pair for the continuous separation of three different populations of particles based on their size using DEP are presented.
Integrated chromatographic approach for the discovery of gingerol antioxidants from Dracocephalum heterophyllum and their potential targets
Authors: Dang Jun , Lv Yue , Li Chengzhao , Fang Yan , Li Gang , Wang Qilan
Published: October 2022

For the first time, antioxidative gingerols were isolated from Dracocephalum heterophyllum, and the potential target proteins for their antioxidant effects were HO-1 and NOX2.
Macrophage-derived hybrid exosome-mimic nanovesicles loaded with black phosphorus for multimodal rheumatoid arthritis therapy
Authors: Zhao Chengwu , Song Wenxia , Ma Jie , Wang Nan
Published: October 2022

Multimodal anti-inflammatory activity for Rheumatoid arthritis (RA) management.
Highly efficient and enantioselective synthesis of β-heteroaryl amino alcohols via Ru-catalyzed asymmetric hydrogenation
Authors: Wu Chao , Ma Baode , Chen Gen-Qiang , Zhang Xumu
Published: October 2022

We herein report a highly enantioselective hydrogenation of α-N-heteroaryl ketones catalyzed by chiral ruthenium catalysts, furnishing β-heteroaryl amino alcohols in superb yields and enantioselectivities (up to 99% yield and up to 99% ee).
Directed cis-hydrosilylation of borylalkynes to borylsilylalkenes
Authors: Stefanowska Kinga , Sokolnicki Tomasz , Walkowiak Jędrzej , Czapik Agnieszka , Franczyk Adrian
Published: October 2022

Directed by the choice of catalyst cis-hydrosilylation of borylalkynes leads to novel borylsilylalkenes which are crucial synthons for the introduction of the carbon–carbon double bonds in organic synthesis.
Highly enantioselective synthesis of norcaradiene derivatives from naphthyl diazoacetamides using a Ru(ii)-Pheox complex
Authors: Otog Nansalmaa , Gantogos Bilguun , Fujisawa Ikuhide , Iwasa Seiji
Published: October 2022

The highly regio- and enantioselective intramolecular cyclopropanation reactions of naphthyl diazoacetamides have been reported herein.
Manipulating the inorganic motif by kinetic control of antimony halide organic–inorganic hybrid materials for larger Stokes shift and significantly enhanced quantum efficiency
Authors: Lin Fang , Tong Hua , Lin Haoran , Liu Wei
Published: October 2022

A novel method for modulating the optical properties of antimony halide based organic–inorganic hybrid materials by kinetic control of the synthesis is reported. This approach provides a new route for the controllable synthesis of hybrid materials.
A low-concentration all-fluorinated electrolyte for stable lithium metal batteries
Authors: Mo Jisheng , Yao Yiqing , Li Chen , Yang Hanxu , Li Haiwen , Zhang Qingan , Jiang Zhipeng , Li Yongtao
Published: October 2022

A novel low-concentration all-fluorinated electrolyte was designed to stabilize lithium metal batteries with excellent wettability and safety.
Reductive activation of N2 using a calcium/potassium bimetallic system supported by an extremely bulky diamide ligand
Authors: Mondal Rahul , Yuvaraj K. , Rajeshkumar Thayalan , Maron Laurent , Jones Cameron
Published: October 2022

Potassium reduction of a bulky diamido-calcium complex under an N2 atmosphere afforded the first well-defined, hetero-bimetallic s-block metal complex of activated dinitrogen.
Electron–phonon interaction and ultrafast photoemission from doped monolayer MoS2
Authors: Nayyar Neha , Le Duy , Turkowski Volodymyr , Rahman Talat S.
Published: October 2022

We present results of combined density functional theory and many-body theory analysis of the effect of electron–phonon coupling on photoluminescence and ultrafast response of electron doped monolayer MoS2.
The effect of composition on phonon softening in ABO3-type perovskites: DFT modelling
Authors: Sophia Gustavo , Baranek Philippe , Rérat Michel , Dovesi Roberto
Published: October 2022

The influence of the A cation on the ferroelectric instability in ABO3 perovskites, and its associated F1u IR-active phonon mode, is systematically investigated for tantalates, niobates and titanates at the hybrid density-functional theory level.
Structural, electronic phase transitions and thermal spin transport properties in 2D NbSe2 and NbS2: a first-principles study
Authors: Liu Yuqi , Feng Yulin , Hu Lei , Wu Xuming , Qiao Shuang , Gao Guoying
Published: October 2022

Bipolar magnetic semiconductor and spin Seebeck effects in 2H-NbSe2 monolayers.
Helical versus linear Jahn–Teller distortions in allene and spiropentadiene radical cations
Authors: Garner Marc H. , Laplaza Ruben , Corminboeuf Clemence
Published: October 2022

The allene radical cation can be stabilized both by Jahn–Teller distortion of the bond lengths and by torsion of the end-groups.
Electrolyte clusters as hydrogen sponges: diffusion Monte Carlo simulations
Authors: Zane A. R. , Curotto E.
Published: October 2022

We carry out Diffusion Monte Carlo simulations of up to five hydrogen molecules aggregated with two Stockmayer clusters that solvate a single lithium ion.
Enabling dual aromaticity in fused nanobelts: evaluation of the magnetic behavior of fused [10]CPP units
Authors: Macleod-Carey Desmond , Muñoz-Castro Alvaro
Published: October 2022

Cyclo-para-phenylene (CPP) nanobelt structures with curved π-surfaces are of relevance in the development of desirable building units for materials science.
Electronic and thermoelectric properties of semiconducting Bi2SSe2 and Bi2S2Se monolayers with high optical absorption
Authors: Cao Shu-Hao , Zhang Tian , Hu Cui-E , Chen Xiang-Rong , Geng Hua-Yun
Published: October 2022

Accurate effective mass via precise 3D-band calculations of two new 2D semiconductors Bi2SSe2 and Bi2S2Se with high optical absorption.
The potential energy profile of the decomposition of 1,1-diamino-2,2-dinitroethylene (FOX-7) in the gas phase
Authors: Luo Yuheng , Kang Christopher , Kaiser Ralf , Sun Rui
Published: October 2022

The decomposition products of 1,1-diamino-2,2-dinitroethylene (FOX-7) in the gas phase.
Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation
Authors: Shaydullin Ruslan R. , Galushko Alexey S. , Pentsak Evgeniy O. , Korshunov Vladislav M. , Taydakov Ilya V. , Gordeev Evgeniy G. , Minyaev Mikhail E. , Nasyrova Darina I. , Ananikov Valentine P.
Published: October 2022

The interaction between diphenylacetylene and dichlorophenylphosphine under various conditions is a simple method for the preparation of pentaphenylphosphole derivatives exhibiting fluorescence properties.
Discriminating between the dissociative photoionization and thermal decomposition products of ethylene glycol by synchrotron VUV photoionization mass spectrometry and theoretical calculations
Authors: Wang Hong , Guan Jiwen , Gao Jiao , Li Yanbo , Zhang Jinyang , Shan Xiaobin , Wang Zhandong
Published: October 2022

Landscape of dissociative photoionization and thermal decompositions of ethylene glycol.
The electronic structure and interfacial contact with metallic borophene of monolayer ScSX (X = I, Br, and Cl)
Authors: Wang Keliang , Xiao Rengui , Yang Tinghai , Zeng Yong , Tan Xiaoqing
Published: October 2022

The electronic structure and interfacial contact with metallic borophene of monolayer ScSX (X = I, Br, and Cl) are comprehensively investigated based on density functional theory (DFT) calculations.
Theoretically seeking charge transport materials with inherent mobility higher than 2,6-diphenyl anthracene: three isomers of 2,6-dipyridyl anthracene
Authors: Qin Guiya , Lin Panpan , Sun Xiaoqi , Guo Jingfu , Fan Jianxun , Ji Lifei , Li Hui , Ren Aimin
Published: October 2022

The role of the intermolecular H-bond in organic semiconductors is paradoxical, it can inhibit thermal fluctuation, enhance the charge transport stability, but can also affect the crystal growth morphology and thus reduce the device performance.
Tuning the properties of graphene quantum dots by passivation
Authors: Rani Priya , Dalal Ranjeet , Srivastava Sunita , Tankeshwar Kumar
Published: October 2022

The electronic and optical properties of graphene quantum dots (GQDs) can be modified by passivating them with electronegative group element such fluorine.
Two-photon dissociation dynamics of the mercapto radical
Authors: Qin Yuan , Zheng Xianfeng , Song Yu , Sun Ge , Zhang Jingsong
Published: October 2022

After sequential two-photon excitation via the A2Σ+ (v' = 0) state, the SH/SD radicals promptly dissociate on the repulsive 22Π and B2Σ+ PECs along with some non-adiabatic crossings, leading to the H/D + S(1D) and H/D + S(1S) products, respectively.
Electronic structure evolution induced by the charge redistribution during the construction of two-dimensional polymer networks from monomers to crystal frameworks
Authors: Jing Jian , Chen Weikun , Huang Zehua , Huang Luyan , Liang Xuefeng , He Yan , Li Huifang
Published: October 2022

The electronic structure of COFs is dominated by the relative energy level between the frontier orbitals of building units, and the charge carrier mobility within the 2D structure is dominated by the charge transfer between core and linker units.
A colorimetric detection strategy and micromotor-assisted photo-Fenton like degradation for hydroquinone based on the peroxidase-like activity of Co3O4–CeO2 nanocages
Authors: Hu Kaiyuan , Li Jia , Han Yang , Ng Dickon H. L. , Xing Ningning , Lyu Yangsai
Published: October 2022

Co3O4–CeO2 micromotors were fabricated and the colorimetric detection and micromotor-assisted photodegradation capability were studied.
New Cu(i) square grid-type and Ni(ii) triangle-type complexes: synthesis and characterization of effective binders of DNA and serum albumins
Authors: Szymańska Martyna , Kubicki Maciej , Roviello Giovanni N. , Consiglio Giuseppe , Fik-Jaskółka Marta A. , Patroniak Violetta
Published: October 2022

Metallosupramolecular square grid-type complex [Cu4L4]4+and triangle-type complex [Ni3L3]6+as a potential strategy for obtaining versatile metal-based DNA, Serum Albumin (SA) and DNA binders.
Metal complexes of a pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): synthesis, characterization, and anticancer activity
Authors: Harihar Shital , Mone Nishigandha , Satpute Surekha K. , Chadar Dattatray , Chakravarty Debamitra , Weyhermüller Thomas , Butcher Ray J. , Salunke-Gawali Sunita
Published: October 2022

Anticancer activity of geometrical isomers of phthiocol complexes are evaluated against MCF-7 and A549 cell lines.
Magnetically bistable cobalt-dioxolene complexes with a tetradentate N-donor base
Authors: Chegerev Maxim G. , Korchagin Denis V. , Shilov Gennady V. , Efimov Nikolay N. , Starikov Andrey G. , Piskunov Alexandr V. , Chernyshev Anatoly V. , Bulgakov Aleksei N. , Minkin Vladimir I. , Palii Andrei V. , Aldoshin Sergey M.
Published: October 2022

We describe a family of cobalt-dioxolene complexes exhibiting a high diversity of magnetic properties: from field-induced single-ion magnetism to thermally induced valence-tautomerism.
(−)-Oleocanthal induces death preferentially in tumor hematopoietic cells through caspase dependent and independent mechanisms
Authors: Pastorio Chiara , Torres-Rusillo Sara , Ortega-Vidal Juan , Jiménez-López M. Carmen , Iañez Inmaculada , Salido Sofía , Santamaría Manuel , Altarejos Joaquín , Molina Ignacio J.
Published: October 2022

Olive oil is a key component of the highly cardiovascular protective Mediterranean diet.
Production of glucose-galactose syrup and milk minerals from Greek yogurt acid whey
Authors: Lindsay Mark J. , Molitor Michael S. , Goculdas Tejas B. , Zhao Jikai , Featherman Jarryd R. , Li Mengting , Miller James B. , Avraamidou Styliana , Rankin Scott A. , Dumesic James A. , Huber George W.
Published: October 2022

A techno-economic analysis and life cycle assessment for the process to produce a sweetener and calcium supplement from Greek yogurt acid whey show that this method has high profitability and a lower environmental footprint than other sweeteners.
Accurate determination of Ba isotope ratios in barite samples by LA-MC-ICP-MS
Authors: Zhang Shenghua , Zhang Wen , Yu Huimin , Huang Fang , Wang Chao , Luo Tao , Liu Yongsheng , Hu Zhaochu
Published: October 2022

A new method for in situ determination of Ba isotope ratios in barite samples by LA-MC-ICP-MS.
Targeted protein degradation using the lysosomal pathway
Authors: Ghosh Samrajni , Ramadas Bhavana , Manna Debasish
Published: October 2022

This review provides an overview of the recent development of targeted protein degradation strategies beyond PROTACs, which utilize the lysosomal pathway to clear up extracellular, membrane and/or cytosolic proteins.
Efficient synthesis of spiro diheterocycles via multi-component dicyclization reaction
Authors: Wang Lingfeng , Zhao Peng , Li Song , Ma Yongmin , Zhang Pengfei , Xu Weiming
Published: October 2022

Spiro diheterocycles with one valuable quaternary carbon were constructed in one pot via an in situ cyclization–respiroannulation strategy.
On the potential intermediacy of PhIBr2 as a brominating agent
Authors: Tania  , Molino Andrew , Sharp-Bucknall Lachlan , Wilson David J. D. , Dutton Jason L.
Published: October 2022

PhIBr2 has been invoked as a brominating agent, however PhIBr2 does not appear to exist but rather forms PhI and Br2, with Br2 being responsible for bromination.
Iodine promoted cyclization of N,N′-diphenylthiocarbamides with enaminones: a protocol for the synthesis of poly-substituted 2-iminothiazolines
Authors: Xu Xiao-Hu , Dong Zhi-Bing
Published: October 2022

An iodine promoted cyclization reaction between N,N′-diphenylthiocarbamides and enaminones was achieved, providing a series of poly-substituted 2-iminothiazolines.
Fluorescence enables high throughput screening of polyelectrolyte–protein binding affinities
Authors: Mustafa Ahmed Z. , Kent Ben , Chapman Robert , Stenzel Martina H.
Published: October 2022

Förster resonance energy transfer (FRET) in combination with high throughput controlled radical polymerisation allows quick identification of polymers that can bind strongly to enzymes such as glucose oxidase.
A green synthesis approach toward large-scale production of benzalacetoneviaClaisen–Schmidt condensation
Authors: Sun Ruolun , Han Chenhui , Xu Jingsan
Published: October 2022

A stirring-induced emulsion system enables 99% selectivity to the mono-condensation product of a Claisen–Schmidt reaction. The system showed good cyclic performance and can be easily scaled up to kilogram-level for the production of benzalacetone.
Hydroxy-directed iridium-catalyzed enantioselective formal β-C(sp2)–H allylic alkylation of α,β-unsaturated carbonyls
Authors: Mitra Sankash , Sarkar Rahul , Chakrabarty Aditya , Mukherjee Santanu
Published: October 2022

The first formal enantioselective β-C(sp2)–H allylic alkylation of α,β-unsaturated carbonyls is developed through hydroxy-directed reaction of α-hydroxy enones with racemic branched allylic alcohols under cooperative Ir(i) and Lewis acid catalysis.
Visible-light-driven photocatalytic selective oxidation of amines and sulfides over a vanadium metal–organic framework
Authors: Guo Ke , Jie Guang'an , Liu Jiahui , Fu Yanghe , Ma Rui , Lu Xinqing , Zhang Fumin , Zhu Weidong , Fan Maohong
Published: October 2022

A vanadium(iv) metal–organic framework, BIT-66, can efficiently catalyze the oxidation of amines and sulfides with a high selectivity upon visible-light irradiation.
Defect-activated surface reconstruction: mechanism for triggering the oxygen evolution reaction activity of NiFe phosphide
Authors: Chen Tong , Li Bing , Song Kai , Wang Chenxu , Ding Jiawei , Liu Enzuo , Chen Biao , He Fang
Published: October 2022

The mechanism of defect-activated rapid surface reconstruction of NiFe phosphide through in situ Raman monitoring during the OER process.
High-valence Mo doping for highly promoted water oxidation of NiFe (oxy)hydroxide
Authors: Wei Liting , Du Mingyue , Zhao Rui , Lv Fei , Li Lubing , Zhang Lei , Zhou Di , Su Jinzhan
Published: October 2022

The incorporation of high-valence Mo into NiFe (oxy)hydroxide stabilizes the active β-NiOOH phase and facilitates surface intermediate adsorption, thereby reducing the barrier energy and improving catalytic OER performance.
A dual-targeting fluorescent probe for simultaneous and discriminative visualization of lipid droplets and endoplasmic reticulum
Authors: Meng Fangfang , He Junyi , Niu Jie , Li Yawen , Gao Peng , Yu Xiaoqiang
Published: October 2022

A single fluorescent probe (SF-probe) that can simultaneously and discriminatively visualize two organelles is a powerful tool to investigate their interaction in cellular processes.
Binary residual feature pyramid network: An improved feature fusion module based on double‐channel residual pyramid structure for autonomous detection algorithm
Authors: Luo Tong , Wang Hai , Cai Yingfeng , Chen Long , Wang Kuan , Yu Yijie
Published: October 2022

The vehicle detection algorithm based on visual perception has been applied in all types of automatic driving scenes. However, there are still flaws in the current detection algorithm model, especially for small objects. The detection effect of vehicle objects with small pixels in the image is often missed and wrongly detected. This research proposes an improved feature fusion module based on double‐channel residual pyramid (DRP) structure for autonomous detection algorithm which named binary residual feature pyramid network (BiResFPN) to solve the above problems. Firstly, a DRP structure, which can effectively supplement the shallow information of the network, is proposed. The residual structure is added to the output feature map for further supplement. Then, an average sampling method of positive and negative samples based on intersection‐over‐union (IOU) value is proposed on the basis of this structure, aimed at the unbalanced sampling of positive and negative samples in the training stage of faster regions with CNN features (RCNN). It leads to the reduction of the interference of a large number of simple negative samples, which makes the learned model better. The experimental results based on the KITTI and BDD100K dataset datasets show that the capability of the feature fusion module based on DRP structure is strong for small object detection. Compared with Faster‐RCNN (FPN), the detection algorithm of small object detection accuracy APsmall was increased by 2.6%, APmedium and APlarge was increased by 1.1% and 0.3%.
Nearby galaxies in the LOFAR Two-metre Sky Survey
Authors: Heesen V. , Klocke T.-L. , Brüggen M. , Tabatabaei F. S. , Basu A. , Beck R. , Drabent A. , Nikiel-Wroczyński B. , Paladino R. , Schulz S. , Stein M.
Published: October 2022

Context. Magnetic fields, which regulate stellar feedback and star formation in galaxies, are key to understanding galaxy evolution.

Aims. We probe the origin of magnetic fields in late-type galaxies, measuring magnetic field strengths and exploring whether magnetic fields are only passive constituents of the interstellar medium or whether, being part of the local energy equilibrium, they are active constituents.

Methods. We measure equipartition magnetic field strengths in 39 galaxies from the second data release of the LOFAR Two-metre Sky Survey (LoTSS-DR2) at 144 MHz with 6 arcsec angular resolution (0.1–0.7 kpc). For a subset of nine galaxies, we obtain atomic and molecular mass surface densities using H I and CO(2-1) data from the THINGS and HERACLES surveys, respectively. These data are at 13 arcsec angular resolution, which corresponds to 0.3–1.2 kpc at the distances of our galaxies. We measure kinetic energy densities using H I and CO velocity dispersions.

Results. We find a mean magnetic field strength of 3.6–12.5 μG with a mean of 7.9 ± 2.0 μG across the full sample. The magnetic field strength has the tightest and steepest relation with the total gas surface density, with B ∝ ΣH I+H20.309 ± 0.006. The relations with the star-formation rate surface density and molecular gas surface density have significantly flatter slopes. After accounting for the influence of cosmic-ray transport, we find an even steeper relation of B ∝ ΣH I+H20.393 ± 0.009.

Conclusions. These results suggest that the magnetic field is regulated by a B–ρ relation, which has its origin in the saturation of the small-scale dynamo. This is borne out by an agreement of kinetic and magnetic energy densities, although local deviations do exist, in particular in areas of high kinetic energy densities where the magnetic field is sub-dominant.
Detection of barium in the atmospheres of the ultra-hot gas giants WASP-76b and WASP-121b
Authors: Azevedo Silva T. , Demangeon O. D. S. , Santos N. C. , Allart R. , Borsa F. , Cristo E. , Esparza-Borges E. , Seidel J. V. , Palle E. , Sousa S. G. , Tabernero H. M. , Zapatero Osorio M. R. , Cristiani S. , Pepe F. , Rebolo R. , Adibekyan V. , Alibert Y. , Barros S. C. C. , Bouchy F. , Bourrier V. , Lo Curto G. , Di Marcantonio P. , D’Odorico V. , Ehrenreich D. , Figueira P. , González Hernández J. I. , Lovis C. , Martins C. J. A. P. , Mehner A. , Micela G. , Molaro P. , Mounzer D. , Nunes N. J. , Sozzetti A. , Suárez Mascareño A. , Udry S.
Published: October 2022

Context. High-resolution spectroscopy studies of ultra-hot Jupiters have been key in our understanding of exoplanet atmospheres. Observing into the atmospheres of these giant planets allows for direct constraints on their atmospheric compositions and dynamics while laying the groundwork for new research regarding their formation and evolution environments.

Aims. Two of the most well-studied ultra-hot Jupiters are WASP-76b and WASP-121b, with multiple detected chemical species and strong signatures of their atmospheric dynamics. We take a new look at these two exceptional ultra-hot Jupiters by reanalyzing the transit observations taken with ESPRESSO at the Very Large Telescope and attempt to detect additional species.

Methods. To extract the planetary spectra of the two targets, we corrected for the telluric absorption and removed the stellar spectrum contributions. We then exploited new synthetic templates that were specifically designed for ultra-hot Jupiters in combination with the cross-correlation technique to unveil species that remained undetected by previous analyses.

Results. We add a novel detection of Ba+ to the known atmospheric compositions of WASP-76b and WASP-121b, the heaviest species detected to date in any exoplanetary atmosphere, with additional new detections of Co and Sr+ and a tentative detection of Ti+ for WASP-121b. We also confirm the presence of Ca+, Cr, Fe, H, Li, Mg, Mn, Na, and V on both WASP-76b and WASP-121b, with the addition of Ca, Fe+, and Ni for the latter. Finally, we also confirm the clear asymmetric absorption feature of Ca+ on WASP-121b, with an excess absorption at the bluer wavelengths and an effective planet radius beyond the Roche lobe. This indicates that the signal may arise from the escape of planetary atmosphere.
ThePlanckclusters in the LOFAR sky
Authors: Zhang X. , Simionescu A. , Gastaldello F. , Eckert D. , Camillini L. , Natale R. , Rossetti M. , Brunetti G. , Akamatsu H. , Botteon A. , Cassano R. , Cuciti V. , Bruno L. , Shimwell T. W. , Jones A. , Kaastra J. S. , Ettori S. , Brüggen M. , de Gasperin F. , Drabent A. , van Weeren R. J. , Röttgering H. J. A.
Published: October 2022

Context.The footprint of the recent second data release of the LOFAR Two-metre Sky Survey (LoTSS-DR2) covers 309PlanckSunyaev-Zeldovich (SZ) selected galaxy clusters, 83 of which host a radio halo and 26 host a radio relic(s). It provides an excellent opportunity to statistically study the properties of extended cluster radio sources, especially their connection with merging activities.

Aims.We quantify cluster dynamic states to investigate their relation with the occurrence of extended radio sources. We also search for connections between intracluster medium (ICM) turbulence and nonthermal characteristics of radio halos in the LoTSS-DR2.

Methods.We analyzedXMM-NewtonandChandraarchival X-ray data of allPlanckSZ clusters in the footprint of LoTSS-DR2. We computed concentration parameters and centroid shifts that indicate the dynamic states of the clusters. We also performed a power spectral analysis of the X-ray surface brightness fluctuations to investigate large-scale density perturbations and estimate the turbulent velocity dispersion. Furthermore, we searched for the relation between radio halo power and the turbulent dissipation flux channeled to particle acceleration.

Results.The concentration parameters measured by the two telescopes agree well, but the centroid shift has a larger scatter. The surface brightness power spectral analysis results in a large scatter of the surface brightness and density fluctuation amplitudes. We therefore only found a marginal anticorrelation between density fluctuations and cluster relaxation state, and we did not find a correlation between density fluctuations and radio halo power. Nevertheless, the injected power for particle acceleration calculated from turbulent dissipation is correlated with the radio halo power, where the best-fit unity slope supports the turbulent (re)acceleration scenario. Two different acceleration models, transit-time damping and adiabatic stochastic acceleration, cannot be distinguished due to the large scatter of the estimated turbulent Mach number. We introduced a new quantity [kBT ⋅ YX]rRH, which is proportional to the turbulent acceleration power assuming a constant Mach number. This quantity is strongly correlated with radio halo power, where the slope is also unity.
Design and realization of a miniaturized high resolution computed tomography imaging spectrometer
Authors: Amann Simon , Haist Tobias , Gatto Alexander , Kamm Markus , Herkommer Alois
Published: October 2022

The computed tomography imaging spectrometer (CTIS) is a relatively unknown snapshot hyperspectral camera. It utilizes computational imaging approaches to gain the hyperspectral image from a spatiospectral smeared sensor image. We present a strongly miniaturized system with a dimension of only 36mm x 40.5mm x 52.8mm and a diagonal field of view of 29°. We achieve this using a Galilean beam expander and a combination of off-the-shelf lenses, a highly aspherical imaging system from a commercial smartphone and a 13 MP monochrome smartphone image sensor. The reconstructed hyperspectral image has a spatial resolution of 400 x 300 pixel with 39 spectral channels.
Modelling dynamic 3D heat transfer in laser material processing based on physics informed neural networks
Authors: Voigt Jorrit , Moeckel Michael
Published: October 2022

Machine learning algorithms make predictions by fitting highly parameterized nonlinear functions to massive amounts of data. Yet those models are not necessarily consistent with physical laws and offer limited interpretability. Extending machine learning models by introducing scientific knowledge in the optimization problem is known as physics-based and data-driven modelling. A promising development are physics informed neural networks (PINN) which ensure consistency to both physical laws and measured data. The aim of this research is to model the time-dependent temperature profile in bulk materials following the passage of a moving laser focus by a PINN. The results from the PINN agree essentially with finite element simulations, proving the suitability of the approach. New perspectives for applications in laser material processing arise when PINNs are integrated in monitoring systems or used for model predictive control.
Design of an Optical Parametric Oscillator using a BBO partial cylinder for a continuous tunability between 0.4 μm and 0.9 μm
Authors: Bruneteau Baptiste , Faure Basile , Debray Jérôme , Lu Dazhi , Souhaité Grégoire , Wang Jiyang , Segonds Patricia , Boulanger Benoît
Published: October 2022

This work describes the different steps of the design of a cylindric Optical Parametric Oscillator. It is based on a BBO nonlinear crystal shaped as a partial cylinder to be pumped by a commercial micro-laser at 0.355 μm for an energetic and sub-nanosecond emission continuously tunable between 0.4 μm and 0.9 μm.