bluuebunny/crossref_metadata_2025 huggingface dataset:
Magnetic resonance imaging of hypoxia in acute stroke compared with fluorine‐18 fluoromisonidazole‐positron emission tomography: A cross‐validation study?
Authors: Valable Samuel , Toutain Jérôme , Divoux Didier , Chazalviel Laurent , Corroyer‐Dulmont Aurélien , Chakhoyan Ararat , Guillouet Stéphane , Bernaudin Myriam , Barbier Emmanuel L. , Touzani Omar
Published: October 2022

Acute ischemic stroke results in an ischemic core surrounded by a tissue at risk, named the penumbra, which is potentially salvageable. One way to differentiate the tissues is to measure the hypoxia status. The purpose of the current study is to correlate the abnormal brain tissue volume derived from magnetic resonance‐based imaging of brain oxygen saturation (StO2‐MRI) to the fluorine‐18 fluoromisonidazole ([18F]FMISO) positron emission tomography (PET) volume for hypoxia imaging validation, and to analyze the ability of StO2‐MRI to depict the different hypoxic tissue types in the acute phase of stroke. In a pertinent model of stroke in the rat, the volume of tissue with decreased StO2‐MRI signal and that with increased uptake of [18F]FMISO were equivalent and correlated (r = 0.706; p = 0.015). The values of StO2 in the tissue at risk were significantly greater than those quantified in the core of the lesion, and were less than those for healthy tissue (52.3% ± 2.0%; 43.3% ± 1.9%, and 67.9 ± 1.4%, respectively). A threshold value for StO2 of ≈60% as the cut‐off for the identification of the tissue at risk was calculated. Tissue volumes with reduced StO2‐MRI correlated with the final lesion (r = 0.964, p < 0.0001). The findings show that the StO2‐MRI approach is sensitive for the detection of hypoxia and for the prediction of the final lesion after stroke. Once validated in acute clinical settings, this approach might be used to enhance the stratification of patients for potential therapeutic interventions.
The abnormally long and weak methylidyne C–H bond
Authors: Vermeeren Pascal , Bickelhaupt F. Matthias
Published: October 2022

The C–H bond of the methylidyne radical, CH•, is abnormally long and weak, even longer and weaker than that of methane, CH4. This is remarkable given the fact that the C–H bond has been shown to contract as the number of substituents around the pertinent carbon atom decreases (e.g., from ethane to ethene to ethyne) because of the accompanying reduction in steric congestion. To elucidate the origin of this anomaly, we have analyzed the C–H bonding mechanism of quartet CH•••and doublet CH•and compared this with the sterically more encumbered triplet CH2••, doublet CH3•, and singlet CH4, using quantitative (Kohn‐Sham) molecular orbital theory. Our analyses reveal that, depending on the effective electronic configuration of the methylidyne radical, its relatively long and weak C–H bond originates from: (i) the position at which the maximum electron‐pair bonding overlap is achieved (quartet CH•••); and (ii) the destabilizing steric Pauli repulsion between the valence orbitals on the interacting fragments (doublet CH•).

Key points

The C–H bond of the methylidyne radical is remarkably longer and weaker than that of the sterically more encumbered methane molecule.

The position of maximum electron‐pair bonding overlap determines the long C–H bond of the methylidyne quartet CH•••.

The C–H bond of the methylidyne doublet CH•expands even further, due to its effective 2s22p2electronic configuration, yielding a significant destabilizing Pauli repulsion between the valence orbitals on the interacting fragments.
The Global Polarity of Alcoholic Solvents and Water – Importance of the Collectively Acting Factors Density, Refractive Index and Hydrogen Bonding Forces
Authors: Spange Stefan , Weiß Nadine , Mayerhöfer Thomas G.
Published: October 2022

TheDHBDquantity represents the hydroxyl group density of alcoholic solvents or water.DHBDis purely physically defined by the product of molar concentration of the solvent (N) and the factor Σn=n×fwhich reflects the number n and position (f‐factor) of the alcoholic OH groups per molecule. Whether the hydroxyl group is either primary, secondary or tertiary is taken into account byf. Σn is clearly linearly correlated with the physical density or the refractive index of the alcohol derivative. Relationships of solvent‐dependent UV/Vis absorption energies asET(30) values,129Xe NMR shifts and kinetic data of 2‐chloro‐2‐methylpropane solvolysis withDHBDare demonstrated. It can be shown that theET(30) solvent parameter reflects the global polarity of the hydrogen bond network rather than specific H‐bond acidity. Significant correlations of the logk1rate constants of the solvolysis reaction of 2‐chloro‐2‐methylpropane withDHBDshow the physical reasoning of the approach.
Improving dielectric properties, electrical conductivity, and thermal properties of biodegradable polymer composites prepared with lanthanum
Authors: Torgut Gulben , Ayhan Nagihan Karaaslan , Acikses Aslisah
Published: October 2022

The precipitation method was adapted to synthesize the poly(ε‐caprolactone‐copolymer‐ ethylene oxide) (ε‐CL‐co‐EO) composite with the salt of lanthanum (La), a rare earth element. This salt was incorporated into the polymer of different weight percentages to study how it affects the thermal and dielectric properties of the polymer. The resulting products were characterized by Fourier Transform Infrared Spectroscopy, X‐ray diffractometry (XRD), Scanning electron microscopy (SEM) and thermogravimetric analysis. XRD and SEM data show that the polymer mixes homogeneously with the metal salt. Thermal degradation data show that the thermal stability of composites synthesized with La is lower than that of pure polymer. The dielectric properties and A.C conductivity measurements of the composites were investigated by using impedance analyzer in the frequency range (100 Hz to 20 kHz) at room temperature. The electrical property results of (ε‐CL‐co‐EO)/La composites displayed that dielectric constant (έ), dielectric loss (ε"), tan delta (tan δ) and A.C electrical conductivity (σac) increase with increasing La content. The largest conductivity of (ε‐CL‐co‐EO)/La composite filled with 20 wt% La was 8.80 × 10−8 S/cm, which was 162% times pure (ε‐CL‐co‐EO). In addition, impedance (IZI) of composites was evaluated from the dielectric data. This procedure is eco‐friendly and easy to handle, which provides a promising route to polymer composites in the application of the conductivity field.
Registration of ‘Naronut 1R’ groundnut
Authors: Okello David K. , Deom C. Michael , Puppala Naveen
Published: October 2022

‘Naronut 1R’ (Reg. no. CV‐150, PI 693985) is a high‐yielding, Spanish‐type groundnut (Arachis hypogaea L. subsp. fastigiata var. vulgaris) cultivar with a red seed coat and two seeds per pod. The cultivar was selected from a cross between International Crops Research Institute for the Semi‐arid Tropics advanced lines ‘ICGV‐SM 90704’ and ‘ICGV‐SM 86715’. Naronut 1R was developed for groundnut rosette disease resistance, late leafspot resistance, yield, red seed coat, and early maturity. Naronut 1R matures in 75–80 d after planting, compared with 90 d for the widely grown and popular landrace Erudu red (Spanish‐type groundnut). Naronut 1R has much higher yields (1,473 kg ha−1) than Erudu red (554 kg ha−1). The overall groundnut rosette disease rating was 44% lower in Naronut 1R (2.8 disease rating) compared with Erudu red (5.0 disease rating). Similarly, the overall late leafspot disease rating was 28% lower in Naronut 1R (3.6 disease rating) compared with Erudu red (5.0 disease rating). Similar to Erudu red, Naronut 1R seed testa is red, but the seed is larger. The sound mature kernel weight was 9.42% higher for Naronut 1R than for Erudu red. The shelling percentage for Naronut 1 was 49.3%, whereas Erudu red was 60%. Naronut 1R has lower protein (18.1 vs. 21.3%) and oil content (36.0 vs. 44.3%) than Erudu red. Naronut 1R will allow for broad adoption of a high yielding, early maturing, red seed coat cultivar that carries resistance to groundnut rosette disease and late leaf spot disease.
Tracking of Point Defects in the Full Compositional Range of AlGaN via Photoluminescence Spectroscopy
Authors: Hyun Kim Ji , Bagheri Pegah , Kirste Ronny , Reddy Pramod , Collazo Ramón , Sitar Zlatko
Published: October 2022

A comprehensive energy map as a function of AlGaN composition over the whole alloy range is presented for commonly observed point defects in nominally intrinsic, n‐, and p‐doped material. The map covers intentional and unintentional impurities (CN, MgIII), vacancies (VIII, VN), passivating complexes (H), and self‐compensating complexes. The tracking of these defects is crucial to understand their impact on optical and electrical properties as well as for their mitigation.
Surface Morphology and Electronic Properties of SnTe Films Prepared by Molecular Beam Epitaxy
Authors: Su Nan , Tsuboi Kaito , Kobayashi Shotaro , Sugimoto Kota , Kobayashi Masakazu
Published: October 2022

SnTe is receiving a lot of attention as a topological crystalline insulator. Herein, SnTe films are grown directly on GaAs (100) substrates by molecular beam epitaxy. The surface morphology and electronic properties are measured by atomic force microscopy and Hall effect measurement, respectively. Considering previous X‐ray diffraction results, the samples grown with high beam‐intensity ratios show hexagonal Te segregation in the films, which deteriorates the surface morphology and decreases the conductivity. By suppressing the supply of Te, better surface morphology and electrical properties are obtained.
Wave Propagation Properties of a Spider‐Web‐Like Hierarchical Acoustic Metamaterial
Authors: Ruan Haifeng , Li Dong
Published: October 2022

Herein, a hierarchical acoustic metamaterial with a spider‐web‐like structure is proposed based on bionics theory. The wave propagation behaviors of the hierarchical structures are studied and discussed with the finite‐element method and Bloch theorem. The effects of the basic shape of the hierarchical structure, the levels (n), and the ambient temperature on the distribution of the bandgap are analyzed, respectively. The results show that the quadrilateral hierarchical structure has better bandgap properties than the same level's octagonal and hexagonal hierarchical structures. The level of the hierarchical structure has a significant effect on the distribution of the low‐frequency bandgap. When the level of the structure is 15, the lowest opening frequency is 99.875 Hz. When the temperature variable is introduced, the temperature‐induced deformation can significantly change the range of the first bandgap of the hierarchical structure. These findings can provide new ideas for the design of acoustic metamaterials.
Investigating the Effect of Relative Humidity on the Mechanics and Dynamics of Open‐Cell Polyurethane Auxetic Foams
Authors: Williams Samuel E. , Zhang Qicheng , de Kergariou Charles , Scarpa Fabrizio
Published: October 2022

This work describes a series of investigations carried out on sets of pristine and auxetic (negative Poisson's ratio (NPR)) open‐cell polyurethane foams subjected to relative humidity (RH) conditioning ranging from 9% to 92% at room temperature. The foams have been produced using a uniaxially thermoforming process. Pristine and auxetic foams have then been subjected to quasi‐static compressive cyclic loading (with maximum strains of 10% and 80%, respectively), as well as vibration transmissibility tests with base accelerations up to 2.29 g. Increasing levels of RH do not seem to statistically affect the moduli and PRs of foams subjected to lower maximum strains, however, especially the auxetic foams at higher compressive deformations show a decrease in the stiffness with the increase of the RH. The vibration tests show an increasing trend of the dynamic modulus of the foams with the increase of the RH. The results indicate the complexity of the interaction between foam architecture and absorption/desorption mechanisms occurring inside these porous auxetic materials.
Mapping mangrove leaf area index (LAI) by combining remote sensing images with PROSAIL‐D and XGBoost methods
Authors: Zhao Demei , Zhen Jianing , Zhang Yinghui , Miao Jing , Shen Zhen , Jiang Xiapeng , Wang Junjie , Jiang Jincheng , Tang Yuzhi , Wu Guofeng
Published: October 2022

Leaf area index (LAI) is a vital parameter reflecting vegetation structure, physio‐ecological process and growth development. Accurate estimation of mangrove LAI is fundamental for assessing the ecological restoration and sustainable development of mangrove ecosystems. To date, very few studies have explored the hybrid method of radiative transfer model (RTM) and machine‐learning model in retrieving mangrove LAI with different satellite sensors. This study investigated the capabilities of combining the PROSAIL‐D model, XGBoost (extreme gradient boosting) and remote sensing images in estimating mangrove LAI, considering the spatial resolutions and spectral vegetation indices (VIs) of Landsat‐8, Sentinel‐2, Worldview‐2 and Zhuhai‐1 images, and further explored the role of eco‐environmental factors in the spatial distribution of LAI in Gaoqiao Mangrove Reserve, China. The results showed that the Zhuhai‐1 acquires the best estimation accuracy ( (the determination coefficient of validation) = 0.86, RPD (residual prediction deviation) = 3.36 and RMSE (root mean square error) = 0.31), followed by Worldview‐2 ( = 0.84, RPD = 2.64 and RMSE = 0.33), Sentinel‐2 ( = 0.34, RPD = 1.33 and RMSE = 0.62) and Landsat‐8 ( = 0.29, RPD = 1.03 and RMSE = 0.71). The newly developed three‐band VIs ( with Landsat‐8, with Sentinel‐2, with Worldview‐2 and with Zhuhai‐1) were efficient estimators of mangrove LAI. Moreover, elevation and species composition could greatly affect the spatial distribution of mangrove LAI. We concluded that the hybrid method of PROSAIL‐D and XGBoost model using VIs derived from Zhuhai‐1 hyperspectral image could be deemed as basic method and input variables of mapping mangrove LAI, and could be effectively and widely applied in generating mangrove LAI products at the regional and national scales.
Recent Advances in Green Synthesis of Functionalized Quinolines of Medicinal Impact (2018‐Present)
Authors: Yadav Pooja , Bhalla Aman
Published: October 2022

The synthetic chemists are awakening to make substantial development in finding safer drugs against the rising communicable and non‐communicable type of diseases. By replacing traditional methods to more sustainable and greener approaches, multicomponent reactions are the rapid and efficient tool for the synthesis of organic molecules of structural diversity and complexity. Heterocyclic chemistry transforms small set of precursors into series of molecules by multicomponent domino reactions. This review covers recent trends of last five years (2018–2022) in construction of potentially drug‐like quinoline derivatives. The methods discussed here are preferable over conventional approaches being inexpensive, consuming lesser reaction time, atom economical, saving energy and manpower while avoiding toxic reagents/materials, chemical wastes and are environmental/occupational benign. The contributions covered here involve metallic, metal free strategies and other catalytic pathways including nanoparticles, ionic liquids and photocatalysis which are operationally safe and reliable.
Preparation and Properties of Nanoclay Reinforced High‐Performance Functional Poly(Itaconic Anhydride‐co‐Acrylamide) Nanomaterials
Authors: Kavlak Serap
Published: October 2022

In this work, poly(itaconic anhydride‐co‐acrylamide) copolymer was synthesized by free radical solution copolymerization and poly(itaconic anhydride‐co‐acrylamide)/nanoclay nanocomposites were prepared by in situ interlamellar copolymerization with three different loading of nanoclay. Intercalation and formation of nanostructures were clarified by spectroscopic techniques. The interaction/compatibility between nanoclay and the copolymer was verified by following the characteristic bands of nanoclay and functional groups in the ATR‐FTIR spectra. The increase in d‐spacing between silicate layers in nanocomposites was determined from XRD analysis. The thermal and viscoelastic properties of nanomaterials and the effect of simultaneous addition of nanofiller were evaluated by thermogravimetric and dynamic mechanical analysis. It was observed that nanocomposites reinforced with nanoclay had higher thermal stability than pristine poly(itaconic anhydride‐co‐acrylamide) and thermal stability increased proportionally with amount of nanoclay loaded. The improvement effect of the incorporated nanoclay on the storage modulus was observed at higher temperature values for the nanocomposite loaded with 4 % nanoclay.
Effect of TBP on the Coordination Process of Eu(III) with T2EHDGA: A Luminescence Spectroscopy Investigation
Authors: Rout Alok , Kumar Satendra , Ramanathan Nagarajan
Published: October 2022

In this report, we explore the precise responsibility of a phase modifier along with the prime ligand in the coordination process of Ln(III) ions using luminescence spectroscopic technique by taking Eu(III) as the probeing metal ion. A well accepted diglyoclamide (DGA) ligand: N,N,N’,N’‐ tetra(ethylhexyl)diglycolamide(T2EHDGA) was used as the prime extractant along with tri‐n‐butylphosphate (TBP) as the phase modifier. Meticulous investigations on Eu(III) complexation with T2EHDGA‐TBP binary mixture was pursued by employing luminescence spectroscopy with the systematic variation of the concentration of TBP in the ligating phase and initial concentration of Eu(III) in the feed phase. The dominancy of the LMCT band over that of the metal centered band signifies the structural difference in the ligands used in the study. The presence of TBP in the organic phase enhances the intensity of 5D0→7F2 and 5D0→7F0 transition. The excitation and emission patterns of the Eu(III)‐solvate species formed in the organic phase both in unirraditaed and irradiated conditions were found to be entirely different, which effectively corroborates the efficacy of the extracting phase. The asymmetry ratio (AR) and the life time data at each experimental conditions were ascertained to realize the coordination behavior of the Eu(III) complex in the organic phase.
Single‐Atomic Pd Embedded 2D g‐C3N4 Homogeneous Catalyst Analogues for Efficient LMCT Induced Full‐Visible‐Light Photocatalytic Suzuki Coupling**
Authors: Jia Xiaoxia , Zhao Jiwu , Zhang Wei , Fu Xianliang , Long Jinlin , Gu Quan , Gao Ziwei
Published: October 2022

We report the implementation of the ligand‐to‐metal charge transfer (LMCT) in organic semiconductors for improved full visible‐light photocatalysis and understanding of the effects of Pd−N weak coordination of a single‐atomic Pd(II) embedded 2D g‐C3N4 (Pd1/UTCN) homogeneous catalyst analogues on the formation of open metal sites and LMCT induced full‐visible‐light photocatalytic performance. LMCT between Pd(II) and g‐C3N4 allows for wide‐range visible light harvesting and promoting the transport of photogenerated charge of carbon nitride from excitation site to active site. Compared to the porphyrin palladium complex with strong Pd−N coordination, the reversible coordination dissociation of Pd−N of Pd1/UTCN allows for the formation of open active sites photocatalysis, which enables the efficient adsorption, activation, and conversion of substrates. The adsorption of the substrate can promote LMCT between Pd(II) and heptanazine ligands. As a result, Pd1/UTCN exhibited LMCT‐induced efficient full‐visible‐light photocatalytic activity of Suzuki reaction with high selectivity without additional phosphorus ligands.
Chemical Degradation and Decolorization of Reactive Black B With an Inorganic Oxidant in Acidic Medium
Authors: Qamar Noshab , Ashfaq Maria , Summer Shazia , Khan Sameera Razi , Masood Summyia , Ali Nida , Toheed Javeria
Published: October 2022

Due to the wide applications of the Reactive Black B (RB−B) in textile industries, it is largely present within the aqueous environment which is a serious environmental threat. Previous studies were unsuccessful to completely remove the color of RB−B from the contaminated environment. In this work, the decolorization of aqueous solutions with RB−B was performed by Potassium bromate. It was found to be a promising oxidizing agent for chemical degradation of organic pollutant. The decolorization and degradation of Reactive Black B by potassium bromate in an aqueous acidic medium was carried out at 591 nm spectrophotometrically at laboratory scale. The reaction was studied under pseudo order conditions having concentration of BrO3− in excess than dye. Under constant conditions, the reaction was found to be first order with respect to both oxidant and reductant. The kinetic salt effect of added salt for the determination of reactive species in the rate‐determining step showed that the rate of reaction is directly related to the increasing concentration of salt, suggesting that two same charged species are involved in the rate‐determining step. Activation parameters were also calculated for the reaction. The highest decolorization percentage of RB−B (99 %) was obtained showing almost complete removal of color of dye from aqueous medium. The proposed degradation of RB−B with bromate was confirmed by qualitative and analytical tests (TDS, EC, UV‐Visible and FTIR spectroscopy).
Synthesis and Characterization of Azo Dye Complexes as Potential Inhibitors of Acetylcholinesterase, Butyrylcholinesterase, and Glutathione S‐Transferase
Authors: Buldurun Kenan , Aras Abdülmelik , Turan Nevin , Turkan Fikret , Adiguzel Ragip , Bursal Ercan
Published: October 2022

In this study, several metal(II) complexes (Fe, Co, Zn, and Ru) of an azo dye ligand (ADL) that, apart from pyrazole ring (PR), include anisole having (−OCH3) group at the m‐substitue of the phenyl (L: (E)‐4‐((3‐methoxyphenyl)diazenyl)‐3‐methyl‐1H‐pyrazol‐5‐amine) were prepared, characterized, and the biological activity studies were carried out. The structures of complexes were identified by elemental analysis, FTIR, UV‐vis, mass spectra (Fe(II) and Co(II)), 1H‐13C NMR spectra, and TGA‐DTA. The azo ligand and its metal complexes were evaluated for their biological properties according to the enzyme inhibitory activities. The lowest Ki values of Co(II) complex against all three GST (19.48±2.17 μM), AChE (22.14±3.74 μM), and BChE (26.39±3.19 μM) enzymes were verified as the most effective enzyme inhibition. The biological activity results suggest that the obtained complexes have good potentials to be used in further analyses to explore new pharmaceutical agents.
Proteolysis Targeting Chimeras (PROTACs) Based on Promiscuous Kinase Inhibitor Synergistically Induce Cancer Cell Apoptosis Through Multiple Mechanisms
Authors: Zhai Jiadai , Li Chuang , Wang Sinan , Sun Bingxia , Cui Yuting , Gao Qingzhi , Sang Feng
Published: October 2022

Eleven new proteolysis targeting chimeras (PROTACs) based on promiscuous kinase inhibitor Sunitinib were designed, synthesized, and assessed for their anticancer activity against four human cancer cell lines A498, K562, HL‐60 and MCF‐7. Two known compounds were also prepared and used as control samples. The CCK‐8 assay results showed that a new PROTAC with a 1,4‐diaminobutane linker (PROTAC 10) exhibited significant antiproliferative activity against A498 (IC50=0.11 ± 0.01 μM) and K562 (IC50=0.59 ± 0.21 μM) cell lines. Western blot analysis showed that in addition to the previously reported G1 to S phase transition 1 (GSPT1), PROTAC 10 also reduced the protein level of fms‐like tyrosine kinase 3 (FLT3) and proto‐oncogene tyrosine protein kinase Src (SRC) in A498 cells. Moreover, PROTAC 10 regulated the protein levels of GSPT1 and SRC in a dose‐ and time‐dependent manner and induced degradation of GSPT1 in a ubiquitin‐proteasome‐dependent manner in K562 cells.
Futuristic Advancements in Biomass‐Derived Graphene Nanoassemblies: Versatile Biosensors for Point‐of‐Care Devices
Authors: Tharani S. , Durgalakshmi D. , Balakumar S. , Rakkesh R. Ajay
Published: October 2022

Graphene and its derivatives, graphene oxide (GO), and reduced graphene oxide (rGO) have gained a lot of interest in the field of biosensing applications due to their unique physicochemical properties. In recent days graphene derived from biomass waste has been undergoing a lot of development because it is stable, and has a structure with rich in carbon content, renewable and economically viable. In a way, it helps us in waste management and resource recovery. There are different ways to synthesize graphene and its derivatives through pyrolysis, chemical vapour deposition (CVD), and carbonization etc. In different types of sensors like electrochemical sensors, fluorescent sensors, surface plasmon resonance (SPR) sensors, and surface‐enhanced Raman scattering (SERS) sensors for detecting bacterial and viral pathogens, which can be designed from biomass derived graphene‐based nanostructures. These types of sensors can be used in Point of care (POC) and wearable devices, which are now witnessing a great deal of development. It helps us to carry on and analyze therapeutic and diagnoses for a disease from the comfort of our home which will be achieved soon.
Stabilizing Wide Bandgap Triple‐Halide Perovskite Alloy through Organic Gelators
Authors: Valenzano Vitantonio , Smecca Emanuele , Valastro Salvatore , Carallo Sonia , Guascito Maria Rachele , Aiello Federica , Gigli Giuseppe , Colella Silvia , Alberti Alessandra , Rizzo Aurora
Published: October 2022

Engineering the chemical composition of metal‐halide perovskites via halide mixing allows a facile bandgap modulation but renders perovskite materials prone to photoinduced halide segregation. Triple‐halide alloys containing Cl, I, and Br were recently reported as a means to stabilize CsyFA1–yPb(BrxI1–x)3 perovskite under illumination. Herein, these triple‐halide alloys are found to be intrinsically less stable with respect to the reference I‐Br in ambient conditions. By exploiting the influence of low‐molecular‐weight organic gelators on the crystallization of the perovskite material, a triple‐halide alloy with improved moisture tolerance and thermal stability at temperatures as high as 120 °C is demonstrated. The hydroxyl‐terminated organic gelators are found to aggregate into nanoscale fibers and promote the gelation of the solvent inducing the formation of a 3D network, positively interfering with perovskite solidification. The addition of a tiny amount of organic gelators imparts a more compact morphology, higher crystallinity, and compositional stability to the resulting triple‐halide polycrystalline films, making them more robust over time without compromising the photovoltaic performance. Overall, this approach offers a solution toward fabrication of active perovskite materials with higher energy gap and improved stability, making these triple‐halide alloys truly exploitable in solar cells.
Comprehensive standardization and rapid quality evaluation of isoflavones and isoflavone glycosides from Dalbergia sissoo by ultra‐high‐performance liquid and thin layer chromatography analysis with tandem mass spectrometry
Authors: Saste Ganesh , Balasubramaniam Arun Kumar , Singh Ruchi , Patel Saurabh , Jagtap Shubham , Patel Samir , Maurya Rakesh , Girme Aboli , Hingorani Lal
Published: October 2022

The Dalbergia sissoo leaves traditionally have medicinal values and are well known for current research on osteoporosis and bone health. The present research aims to develop and validate a simple, sensitive, and comprehensive analytical method to standardize Dalbergia sissoo leaves. An ultra‐high performance liquid chromatography method was developed for seven isoflavone glycosides, and isoflavone's identification, including bioactive caviunin and biochanin‐A based glycosides with genistein, pratensein, biochanin‐A, and biochanin‐A‐7‐O‐glucoside for simultaneous quantification in Dalbergia sissoo leaves. Also, a novel high‐performance thin‐layer chromatography‐based method has been developed for isoflavone glycosides as a visual quality control tool for Dalbergia sissoo. Further, seven isoflavonoids were also characterized using mass spectrometry in sample matrices. A qualitative high‐performance thin‐layer chromatography‐based method was found helpful in identifying four major isoflavone glycosides in leaves. The performance of the method and the validation data showed the ultra‐high performance liquid chromatography method was precise (relative standard deviation < 5.0%), accurate (recoveries 80%–110%), robust (relative standard deviation < 5.0%), and linear (r2 > 0.99) for quantification. This well‐separated novel and rapid determination of Dalbergia sissoo compounds in leaves will be helpful in the standardization of the quality assessment tool for Dalbergia sissoo.
Why Hoffmann? The Person and the Young Chemical Physicist**
Authors: Seeman Jeffrey I.
Published: October 2022

In 1965, R. B. Woodward and Roald Hoffmann published five communications that formed the basis of the Principle of Conservation of Orbital Symmetry which explained mechanisms of all pericyclic reactions and predicted the allowedness and forbiddeness of such reactions, whether thermal or photochemical. A brief biographical discussion of Hoffmann up to May 1964 is explains why Hoffmann was the ideal individual to participate in the collaboration with Woodward. Why May 1964? Because it was then that the Woodward‐Hoffmann collaboration began.
Vitamin B complex blocks the dust fall PM2.5‐induced acute lung injury through DNA methylation in rats
Authors: Bai Jun , Tang Lanlan , Luo Yajun , Han Zhixia , Li Chenwen , Sun Yaochuan , Sun Qian , Lu Ji , Qiu Hao , Zhao Zhenhu , Huo Tingting , Xiong Wei , Zhang Qingbi
Published: October 2022

This study aimed to explore whether vitamin B complex (folic acid, B6, and B12) could avert DNA methylation changes associated with inflammation induced by acute PM2.5 exposure. Sprague‐Dawley rats were administered by gavage with different concentrations of vitamin B complex once a day for 28 days, and then by intratracheal instillation with saline or PM2.5 once every 2 days for three times. Vitamin B continued to be taken during the PM2.5 exposure. Rats were sacrificed 24 h after the last exposure. The results showed that vitamin B complex could block the pathological changes and injury in lungs induced by PM2.5. Meanwhile, vitamin B complex could prevent the abnormal DNA methylation of IL‐4 and IFN‐γ to antagonize the imbalance of IL‐4/IFN‐γ associated with inflammation. It was further found that vitamin B complex could regulate DNA methyltransferases (DNMTs) and increase the S‐adenosylmethionine (SAM)/S‐Adenosyl‐L‐homocysteine (SAH) ratio to reverse the hypomethylation of genomic DNA and the abnormal DNA methylation of IL‐4 and IFN‐γ. In conclusion, vitamin B complex has a protective effect on acute lung injury by attenuating abnormal DNA methylation induced by PM2.5 in rats. This study may provide a new insight into the physiological function of vitamin B to prevent the health effects induced by PM2.5.
Snow limits polecat Mustela putorius distribution in Sweden
Authors: Osinga Thomas , Thurfjell Henrik , Hofmeester Tim R.
Published: October 2022

Many species show range expansions or contractions due to climate change induced changes in habitat suitability. In cold climates, many species that are limited by snow are showing range expansions due to reduced winter severity. The European polecat Mustela putorius occurs over large parts of Europe with its northern range limit in southern Fennoscandia. However, it is to date unknown what factors limit polecat distribution. We thus investigated whether climate or land‐use variables are more important in determining the habitat suitability for polecats in Sweden. We hypothesized that 1) climatic factors, especially the yearly number of snow days, drive habitat suitability for polecats, and that, 2) as the number of snow days is predicted to decline in the near future, habitat suitability in northern Sweden will increase. We used a combination of sightings data and a selection of national maps of environmental factors to test these hypotheses using Maxent models. We also used maps of future climate predictions (2021–2050 and 2063–2098) to predict future habitat suitability. The number of snow days was the most important factor, negatively determining habitat suitability for polecats, as expected. Consequently, the predictions showed an increase in suitable habitat both in the current distribution range and in northern Sweden, especially along the coast of the Baltic Sea. Our results suggest that the polecat distribution is limited by snow and that reduced snow cover will likely result in a northward range expansion. However, the exact mechanisms for how snow limits polecats are still poorly understood. The potential range expansion might result in a population increase of the Scandinavian polecat population, in contrast to many populations elsewhere in Europe, where numbers are declining. Due to polecat predation, the expansion of the species might have cascading effects on other wildlife populations.
Does the evidence base on social determinants of health cross disciplinary boundaries? A review of reviews
Authors: Johnson Sydney , Frech Adrianne , Edwards Bob , Tumin Dmitry
Published: October 2022

Social determinants of health (SDH) have emerged as a major area of emphasis in medicine over the last 30 years. While increasing interest in SDH has led to a proliferation of literature on this topic, it is unclear whether the medical evidence base on SDH has assimilated contributions from other disciplines. We analyzed interdisciplinary contributions to the medical evidence base on SDH, using a bibliographic analysis of highly cited literature reviews. Medical review articles from 1990 to 2020 were queried using the Scopus database, with a keyword search in the title and abstract for “social determinants of health.” The top 100 most highly cited articles were sampled for inclusion, and references in each review were screened to identify journal articles published in other disciplines. An initial Scopus search identified 502 eligible reviews. After reviewing the top 100 most highly cited articles, 40 articles published between 2000 and 2017 met our inclusion criteria. and received between 33 and 940 citations. These reviews included references to a median of 41 journal articles (interquartile range [IQR]: 25, 67), of which a median of 11 was from public health journals (IQR: 6, 18) and 4 were from other social science fields (IQR: 1, 11). On multivariable analysis, more recent reviews incorporated more sources from public health but not from other social science fields. Relevant SDH scholarship from sociology and related fields is not being integrated into the evidence base directed at clinician audiences and may be underutilized in shaping policy and practice in these areas.
Ubiquitous Surveillance and Data Selves
Authors: Frow John
Published: October 2022

Are we made up entirely and without residue of the data that defines us, or is there a disjunction between our data shadows and our embodied selves? How do we come to recognize ourselves, our selves, in the pronouns that interpellate us online, and what is it exactly that we recognize? What does it mean to occupy the semantic and positional space of the pronoun ‘you’? And is there a continuity or a discontinuity between the systems of surveillance and data aggregation that address us and the systems that don’t? The markers of identity generated by such systems work by both individuating and classifying us; this chapter seeks to think about the range of possible relations between that generality and that particularity.
Deciphering the maximal transcendentality principle via bootstrap
Authors: Guo Yuanhong , Jin Qing jun , Wang Lei , Yang Gang
Published: October 2022

Abstract

We prove the principle of maximal transcendentality for a class of form factors, including the general two-loop minimal form factors, the two-loop three-point form factor of tr(F2), and the two-loop four-point form factor of tr(F3). Our proof is based on a recently developed bootstrap method using the representation of master integral expansions, together with some unitarity cuts that are universal in general gauge theories. The maximally transcendental parts of the two-loop four-gluon form factor of tr(F3) are obtained for the first time in both planar $$ \mathcal{N} $$
N
= 4 SYM and pure YM theories. This form factor can be understood as the Higgs-plus-four-gluon amplitudes involving a dimension-seven operator in the Higgs effective theory. In this case, we find that the maximally transcendental part of the $$ \mathcal{N} $$
N
= 4 SYM result is different from that of pure YM, and the discrepancy is due to the gluino-loop contributions in $$ \mathcal{N} $$
N
= 4 SYM. In contrast, the scalar-loop contributions have no maximally transcendental parts. Thus, the maximal transcendentality principle still holds for the form factor results in $$ \mathcal{N} $$
N
= 4 SYM and QCD, after a proper identification of the fundamental quarks and adjoint gluinos as nf→ 4Nc. This seems to be the first example of the maximally transcendental principle that involves fermion-loop contributions. As another intriguing observation, we find that the four-point form factor of the half-BPS tr(ϕ3) operator is precisely a building block in the form factor of tr(F3).
The symmetrical rate-equations of particle–wave mechanics
Authors: Hill James M.
Published: October 2022

At various times in his life, Louis de Broglie firmly believed in the coexistence of both particle and an associated wave referring to “the theory of the double solution”, and an equation which he called “the guidance formula”. In an attempt to account for both particle and wave, the author has proposed a Lorentz invariant alternative to Newton’s second law which is developed in Hill (Zeitschrift fur angewandte Mathematik und Physik 69:133–145, 2018; Zeitschrift fur angewandte Mathematik und Physik 70:5–14, 2019; Zeitschrift fur angewandte Mathematik und Physik 70:131–153, 2019; Math Mech Solids 26:263–284, 2020; Math Mech Solids 25: 1763–1777, 2020; Zeitschrift fur angewandte Mathematik und Physik 72:1–14; Mathematics of particle–wave mechanical systems, Springer, Cham, 2022). Here, we summarise some of the major outcomes of this approach, including simple solutions of the proposed model exhibiting both sub-luminal and superluminal behaviour dependent upon the region of space-time, and two symmetrical sets of rate-differential relations for the two Lorentz invariants for a single spatial dimension x. One set follows the particle, while the other follows the wave, revealing a complete symmetry between the one-dimensional spatial physical force f and the force g in the “direction of time”. The existence of these symmetrical equations reinforces the parity and interchangeability of particles and waves.
Intra-islet insulin synthesis defects are associated with endoplasmic reticulum stress and loss of beta cell identity in human diabetes
Authors: Brusco Noemi , Sebastiani Guido , Di Giuseppe Gianfranco , Licata Giada , Grieco Giuseppina E. , Fignani Daniela , Nigi Laura , Formichi Caterina , Aiello Elena , Auddino Stefano , Quero Giuseppe , Cefalo Chiara M. A. , Cinti Francesca , Mari Andrea , Ferraro Pietro M. , Pontecorvi Alfredo , Alfieri Sergio , Giaccari Andrea , Dotta Francesco , Mezza Teresa
Published: October 2022

Aims/hypothesis

Endoplasmic reticulum (ER) stress and beta cell dedifferentiation both play leading roles in impaired insulin secretion in overt type 2 diabetes. Whether and how these factors are related in the natural history of the disease remains, however, unclear.

Methods

In this study, we analysed pancreas biopsies from a cohort of metabolically characterised living donors to identify defects in in situ insulin synthesis and intra-islet expression of ER stress and beta cell phenotype markers.

Results

We provide evidence that in situ altered insulin processing is closely connected to in vivo worsening of beta cell function. Further, activation of ER stress genes reflects the alteration of insulin processing in situ. Using a combination of 17 different markers, we characterised individual pancreatic islets from normal glucose tolerant, impaired glucose tolerant and type 2 diabetic participants and reconstructed disease progression.

Conclusions/interpretation

Our study suggests that increased beta cell workload is accompanied by a progressive increase in ER stress with defects in insulin synthesis and loss of beta cell identity.

Graphical abstract
No difference in clinical outcome after rotator cuff repair performed within or later than 3 months after trauma: a retrospective cohort study
Authors: Dimmen Sigbjørn , Owesen Christian , Lundgreen Kirsten , Jenssen Kjersti Kaul
Published: October 2022

Purpose

Rotator cuff (RC) tear is one of the most common injuries of the shoulder. Patients with RC tears often report a trauma initiating shoulder pain and impaired function. The aim of this retrospective analysis of a prospectively registered cohort was to elucidate whether the time interval between the trauma and RC repair, using a cut off of 3 months, affects the functional outcome after 2 years.

Methods

In a single orthopedic unit, 819 consecutive patients were treated with rotator cuff repair during the period from 2010 to 2014 and 733 of the patients completed the Western Ontario Rotator Cuff (WORC) index preoperatively and at 2-year follow-up. The Constant–Murley (CM) score was completed by trained physiotherapists after a clinical examination both preoperatively and at 2-year follow-up. Preoperative magnetic resonance imaging (MRI) was performed in all patients and postoperatively in 65% of the included patients. Re-tears and partial repairs were excluded, as were patients with pseudoparalysis who were given high priority and underwent surgery during the first 3 weeks after trauma.

Results

Of the 733 treated patients, 437 (60%) reported having had a shoulder trauma in their medical history initiating their shoulder symptoms, and of these, 358 met the inclusion criteria. 296 patients with non-traumatic tears, 9 repairs done within 3 weeks after trauma, 25 partial repairs, 33 re-tears and 12 others were excluded. At 2-year follow-up there was no significant difference in WORC index (n.s.) or CM score (n.s.) between patients who had their RC repaired within or more than 3 months after trauma. In patients where RC repair was performed within 3 months, the WORC index improved by 42.9%, and in the group of patients operated later than 3 months, the increase was 38.7%. This difference between the groups was neither statistically significant (n.s.) nor clinically relevant. On postoperative MRI, 80% of the repairs were healed in both groups.

Conclusion

In this retrospective cohort study, no differences in clinical outcome were found when RC repair was performed between 3 weeks and 3 months or later than 3 months after injury in patients describing their onset of symptoms as traumatic.

Level of evidence

III.
Applying the geodetic detrending technique for investigating the consistency of GPS L2P(Y) in several receivers
Authors: Juan J. M. , Sanz J. , González-Casado G. , Rovira-Garcia A. , Timoté C. C. , Orús-Pérez R.
Published: October 2022

Global Navigation Satellite System signals have been used for years to study high-frequency fluctuations (f > 0.1 Hz) in the ionosphere. The customary procedure uses the geometry-free (GF) combination of L1 and L2 carriers, for which it is necessary to acquire the L2 GPS signal. Initially, L2 had to be acquired from a codeless signal, L2P(Y), using several techniques, some of them requiring the aid of L1. New GPS satellites transmit the new C2 civil code, which can be used to acquire directly L2, i.e. L2C. Several publications have reported differences in the GF combination when it is computed from L2P(Y) or L2C. Using two ionospheric scintillation monitoring receivers (ISMRs), these differences were shown to be related to how they acquire L2, i.e. if the receiver acquires L2 with the L1 aid. However, ISMRs are scarce, so the extension of such a study is not straightforward. The present work uses the geodetic detrending technique to identify whether a conventional geodetic-grade receiver acquires L2 with the aid of L1. The study employs six different receiver types with measurements stored in RINEX formats version 2 and 3. In both formats, we are able to identify if L2 signal is acquired with L1 aid. In this way, we show that some receiver types heavily underestimate high-frequency ionospheric fluctuations when using the GF combination. Our results show that the ionosphere-free combination of these carrier phases is not free from high-frequency ionospheric fluctuations, but in some receivers, almost 90% of the high-frequency effects in L1 remain in such combination.
Analytical determination of antioxidant capacity of hop-derived compounds in beer using specific rapid assays (ORAC, FRAP) and ESR-spectroscopy
Authors: Rothe Julia , Fischer Riana , Cotterchio Christina , Gastl Martina , Becker Thomas
Published: October 2022

There is a relationship between antioxidant activity and ageing stability of beer. The high-throughput antioxidant capacity assays ORAC and FRAP, which rely on specific reaction mechanisms, are validated as an addition to the established ESR-ST method with a focus on hop-derived antioxidants. Beers were brewed with systematic variations in hop variety, hop product, and the hopping regime (late hopping) to achieve sample beers varying widely in the concentrations of hop-derived antioxidants (α- and iso-α-acids, phenolic compounds). A significant positive correlation between phenolic compounds and the ORAC- and FRAP-values (p < 0.01) was found. The effect of individual resinous substances and free phenolic acids and flavonoids on the antioxidant capacity of beer (ORAC, FRAP, and ESR-ST) was proven in spiking trials. We found a correlation between the occurrence of the o-di-OH-group and the ORAC- and FRAP-values of phenolic compounds. Phenolic compounds did not react as anti- or prooxidants in the radical generation (ESR-ST). Higher concentrations of unisomerized α-acids significantly reduced ESR-signal intensity but had no significant effect on ORAC- or FRAP-values. Beers brewed with late hop addition, which yielded higher concentrations of unisomerized α-acids and phenolic compounds, had higher ORAC, FRAP-values and a reduced ESR-signal intensity. These three methods rely on different reaction principles, and therefore, different groups of hop-derived compounds act as antioxidants in these assays. A combination of the two high-throughput methods (ORAC, FRAP) and ESR-ST is advantageous for the evaluation of the antioxidant capacity of beers varying in hop-derived compounds.
Fusion von Tauchroboter- und Satellitenmessungen über unterschiedliche Skalen, Messmodelle und spektrale Abtastungen
Authors: Nakath D. , Grossmann V. , Kiko R. , Koch R. , Oppelt N. , Köser K.
Published: October 2022

In küstennahen Gewässern ist es von Vorteil, satellitengestützte optische Messungen des Meeres mit visuellen und sensorischen Beobachtungen von Tauchrobotern zu fusionieren. Obwohl Satelliten nur wenige Meter tief in Gewässer hineinschauen können, ist es möglich, generelle Wassereigenschaften oder den Bodenbewuchs von Küstengewässern zu bestimmen. Visuelle und sensorische Tauchroboterbeobachtungen sind hierzu komplementär und können auch tiefere Gewässer erreichen. Das mitgeführte künstliche Licht wird jedoch stark gestreut und erfordert andere Messmodelle. Zusätzlich sind die räumlichen und spektralen Auflösungen der Beobachtungen oftmals sehr unterschiedlich. Wir analysieren hier die damit verbundenen Problematiken und skizzieren Wege, wie die Fusion der grundverschiedenen Messungen dennoch gelingen könnte.