bluuebunny/crossref_metadata_2025 huggingface dataset:
Grüne, wasserbasierte, und skalierbare Synthesen von porösen Salzen mit kationischen Al24‐Hydroxid‐Acetat‐Clustern
Authors: Achenbach Bastian , Grape Erik Svensson , Wahiduzzaman Mohammad , Pappler Sandra K. , Meinhart Marcel , Siegel Renée , Maurin Guillaume , Senker Jürgen , Inge A. Ken , Stock Norbert
Published: April 2023

Die Chemie von Al3+‐Ionen in wässriger Lösung ist sehr komplex und führte bereits zu verschiedenen Polyoxokationen. In diesem Artikel wird die einfache Synthese von porösen Salzen der Zusammensetzung [Al24(OH)56(CH3COO)12]X4 (CAU‐55‐X, mit X=Cl−, Br−, I−, HSO4−) beschrieben, welche einen kationischen Al24‐Cluster enthalten. Die Kristallstrukturen wurden aus Elektronenbeugungsdaten bestimmt. Verschiedene Synthesewege wurden für das Chloridsalz [Al24(OH)56(CH3COO)12]Cl4 in Wasser entwickelt, die innerhalb von Minuten zu hohen Ausbeuten (>95 %, und bis zu 215 g pro Ansatz) führten. Die Verbindungen weisen spezifische Oberflächen und H2O‐Kapazitäten mit Maximalwerten von bis zu 930 m2 g−1 bzw. 430 mg g−1 auf. Die Partikelgröße von CAU‐55‐X kann zwischen 140 nm und 1250 nm eingestellt werden, wodurch die Herstellung stabiler Dispersionen oder hochkristalliner Pulver möglich ist. Die positive Oberflächenladung der Partikel ermöglicht eine schnelle und effektive Adsorption anionischer Farbstoffmoleküle und die Adsorption von per‐ und polyfluorierten Alkylverbindungen (PFAS).
Transfer freier Aminogruppen via α‐Aminierung von Carbonylen
Authors: Feng Minghao , Fernandes Anthony J. , Sirvent Ana , Spinozzi Eleonora , Shaaban Saad , Maulide Nuno
Published: April 2023

Eine Strategie zur direkten α‐Aminierung unfunktionalisierter Carbonylverbindungen wird berichtet. Unter Verwendung einer kommerziell verfügbaren Stickstoffquelle zur Übertragung der freien Aminogruppe (NH2) werden primäre α‐Aminocarbonylverbindungen unter besonders milden Bedingungen hergestellt. Die direkte Einführung einer ungeschützten, primären Aminogruppe ermöglicht in der Folge zahlreiche in situ Funktionalisierungen der erhaltenen Reaktionsprodukte, einschließlich Peptidkupplungen und Pictet–Spengler Cyclisierungen.
Fabrication of Photoprocessable Materials via Photopolymerization Using an Acid‐Induced Photocleavable Platinum‐Acetylide Crosslinker
Authors: Kaneko Takashi , Russell Go M. , Kawano Yutaro , Masai Hiroshi , Terao Jun
Published: April 2023

Photopolymerization and photoprocessing are core technologies for molding and tuning polymer materials. However, they are incompatible with single materials owing to their contradictory photoreactivity. Herein, an acid‐induced photocleavable crosslinker, a platinum–acetylide complex covered by permethylated cyclodextrins, enables the fabrication of photoprocessable materials via photopolymerization with N‐(2‐hydroxyethyl)acrylamide. The polymer networks are molded by 365 nm irradiation as well as softened and degraded by a cooperative reaction with HCl as an acidic additive under 365 nm UV light, or 470 nm visible light in the presence of a photosensitizer. Moreover, the crosslinker is applied to a photoadhesive triggered by 365 nm irradiation. The adhesion is detachable on‐demand through acid‐induced photodegradation with the same wavelength and intensity of irradiation. Thus, acid‐induced photocleavage allows the integration of light‐induced molding and processing under various lights of various wavelengths, opening up new strategies for polymer technologies.
Organohydrogels with High‐Speed Lubrication by Confining Polymer Chain Mobility by an Interpenetrated Heteronetwork
Authors: Ru Yunfei , Yang Yingchao , Wu Qingshan , Fang Ruochen , Zhao Tianyi , Klein Jacob , Liu Mingjie
Published: April 2023

Hydrogels with pure hydrophilic network have received much attention due to their excellent low frictional behavior. However, the lubrication performance of hydrogels is not satisfied under high‐speed condition due to the energy dissipation caused by adsorbed polymer chains as well as the failure of lubricating mechanisms accompanied by the transition of lubrication regime. In this work, interpenetrating double‐network organohydrogels were constructed by combining hydrophilic and oleophilic polymer networks to modify the physiochemical properties of surface polymer chains, especially the chain mobility. The oleophilic polymer network spatially restricting the mobility of the swollen hydrophilic network in water, resulted in a low coefficient of friction (ca. 0.01) compared with conventional hydrogels at high speed (0.1 m s−1). Meanwhile, the organohydrogels had superior wear resistance, with almost no wear observed on the sliding track after 5 k cycles of rubbing at high speed. The design concept of organohydrogels can be extended to a variety of low‐wear, highly‐lubricating materials.
Observation of Asymmetric Oxidation Catalysis with B20 Chiral Crystals**
Authors: Li Guowei , Yang Qun , Manna Kaustuv , Zhang Yudi , Merz Patrick , Shekhar Chandra , Zhang Yang , Lv Hua , Markou Anastasios , Sun Yan , Felser Claudia
Published: April 2023

The study of heterogeneous reactions for enantiomeric processes based on inorganic crystals has been resurgent in recent years. However, the question remains how homochirality develops in nature and chemical reactions. Here, the successful growth of B20 group PdGa single crystals with different chiral lattices enabled us to achieve enantioselective recognition of 3,4‐dihydroxyphenylalanine (DOPA) based on a new mechanism, namely orbital angular momentum (OAM) polarization. The orbital textures of PdGa crystals indicate large OAM polarization near the Fermi level and carrying opposite signs. A positive or negative magnetization in the [111] direction is expected depending on the chiral lattice of PdGa crystals. Due to this, the adsorption energies of PdGa crystals and DOPA molecules differ depending on how well the O‐2p orbital of DOPA pairs with the Pd‐4d orbital of PdGa. The results provide one possible explanation for how chirality arises in nature by providing an enantioselective route with pure inorganic crystals.
Observing Confined Local Oxygen‐induced Reversible Thiol/Disulfide Cycle with a Protein Nanopore
Authors: Liu Wei , Yang Chao‐Nan , Yang Zhong‐Lin , Yu Ru‐Jia , Long Yi‐Tao , Ying Yi‐Lun
Published: April 2023

Disulfide bonds play an important role in thiol‐based redox regulation. However, owing to the lack of analytical tools, little is known about how local O2 mediates the reversible thiol/disulfide cycle under protein confinement. In this study, a protein‐nanopore inside a glove box is used to control local O2 for single‐molecule reaction, as well as a single‐molecule sensor for real‐time monitoring of the reversible thiol/disulfide cycle. The results demonstrate that the local O2 molecules in protein nanopores could facilitate the redox cycle of disulfide formation and cleavage by promoting a higher fraction of effective reactant collisions owing to nanoconfinement. Further kinetic calculations indicate that the negatively charged residues near reactive sites facilitate proton‐involved oxygen‐induced disulfide cleavage under protein confinement. The unexpectedly strong oxidation ability of confined local O2 may play an essential role in cellular redox signaling and enzyme reactions.
α‐Lactam Electrophiles for Covalent Chemical Biology**
Authors: Mahía Alejandro , Kiib Anders E. , Nisavic Marija , Svenningsen Esben B. , Palmfeldt Johan , Poulsen Thomas B.
Published: April 2023

Electrophilic groups are one of the key pillars of contemporary chemical biology and medicinal chemistry. For instance, 3‐membered N‐heterocyclic compounds—such as aziridines, azirines, and oxaziridines—possess unique electronic and structural properties which underlie their potential and applicability as covalent tools. The α‐lactams are also members of this group of compounds, however, their utility within the field remains unexplored. Here, we demonstrate an α‐lactam reagent (AM2) that is tolerant to aqueous buffers while being reactive towards biologically relevant nucleophiles. Interestingly, carboxylesterases 1 and 2 (CES1/2), both serine hydrolases with key roles in endo‐ and xenobiotic metabolism, were found as primary covalent targets for AM2 in HepG2 liver cancer cells. All in all, this study constitutes the starting point for the further development and exploration of α‐lactam‐based electrophilic probes in covalent chemical biology.
Selective Photocatalytic Reduction of CO2 to CO Mediated by Silver Single Atoms Anchored on Tubular Carbon Nitride
Authors: Hu Shan , Qiao Panzhe , Yi Xinli , Lei Yiming , Hu Huilin , Ye Jinhua , Wang Defa
Published: April 2023

Artificial photosynthesis is a promising strategy for converting carbon dioxide (CO2) and water (H2O) into fuels and value‐added chemical products. However, photocatalysts usually suffered from low activity and product selectivity due to the sluggish dynamic transfer of photoexcited charge carriers. Herein, we describe anchoring of Ag single atoms on hollow porous polygonal C3N4 nanotubes (PCN) to form the photocatalyst Ag1@PCN with Ag−N3 coordination for CO2 photoreduction using H2O as the reductant. The as‐synthesized Ag1@PCN exhibits a high CO production rate of 0.32 μmol h−1 (mass of catalyst: 2 mg), a high selectivity (>94 %), and an excellent stability in the long term. Experiments and density functional theory (DFT) reveal that the strong metal–support interactions (Ag−N3) favor *CO2 adsorption, *COOH generation and desorption, and accelerate dynamic transfer of photoexcited charge carriers between C3N4 and Ag single atoms, thereby accounting for the enhanced CO2 photoreduction activity with a high CO selectivity. This work provides a deep insight into the important role of strong metal–support interactions in enhancing the photoactivity and CO selectivity of CO2 photoreduction.
Revealing Excited‐State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time
Authors: Leshchev Denis , J. S. Valentine Andrew , Kim Pyosang , Mills Alexis W. , Roy Subhangi , Chakraborty Arnab , Biasin Elisa , Haldrup Kristoffer , Hsu Darren J. , Kirschner Matthew S. , Rimmerman Dolev , Chollet Matthieu , Glownia J. Michael , van Driel Tim B. , Castellano Felix N. , Li Xiaosong , Chen Lin X.
Published: April 2023

Photoexcited molecular trajectories on potential energy surfaces (PESs) prior to thermalization are intimately connected to the photochemical reaction outcome. The excited‐state trajectories of a diplatinum complex featuring photo‐activated metal–metal σ‐bond formation and associated Pt−Pt stretching motions were detected in real time using femtosecond wide‐angle X‐ray solution scattering. The observed motions correspond well with coherent vibrational wavepacket motions detected by femtosecond optical transient absorption. Two key coordinates for intersystem crossing have been identified, the Pt−Pt bond length and the orientation of the ligands coordinated with the platinum centers, along which the excited‐state trajectories can be projected onto the calculated PESs of the excited states. This investigation has gleaned novel insight into electronic transitions occurring on the time scales of vibrational motions measured in real time, revealing ultrafast nonadiabatic or non‐equilibrium processes along excited‐state trajectories involving multiple excited‐state PESs.
External oblique intercostal (EOI) block for enhanced recovery after liver surgery: a case series
Authors: Liotiri D. , Diamantis A. , Papapetrou E. , Grapsidi V. , Sioka E. , Stamatiou G. , Zacharoulis D.
Published: April 2023

We report our clinical experience with the external oblique intercostal block in three consecutive adult patients who underwent liver surgery for resection of metastases. Enhanced recovery guidelines for liver surgery recommend intrathecal opioids and peripheral regional anaesthetic techniques in the context of multimodal analgesia to achieve adequate postoperative analgesia and early functional recovery. However, both laparoscopic and open approaches to liver surgery involve incisions in the upper abdomen, an anatomical area not well covered by previously described peripheral regional anaesthetic techniques. The external oblique intercostal block is a novel motor‐ and opioid‐sparing technique which blocks both the anterior and lateral cutaneous branches of the thoracoabdominal nerves which innervate the upper abdominal quadrant. In all cases in this series, we performed the blocks in a short period of time and without complications. All patients remained pain‐ and opioid‐free in the postoperative period and achieved enhanced recovery outcomes early. We found the external oblique intercostal block to be a simple, convenient, effective and opioid‐sparing regional anaesthetic technique for postoperative analgesia after liver surgery. By minimising opioid use and by obviating the need for central neuraxial anaesthesia techniques in the postoperative period, this block could be incorporated into enhanced recovery protocols for hepatobiliary surgery.
Control efficacy of azadirachtin on the fall armyworm, Spodoptera frugiperda (J. E. Smith) by soil drenching
Authors: Acharya Rajendra , Sharma Sushant Raj , Barman Apurba K. , Kim Sang‐Mok , Lee Kyeong‐Yeoll
Published: April 2023

The fall armyworm (FAW), Spodoptera frugiperda, is an important agricultural pest species native to the Western Hemisphere and has recently invaded to Africa and Asia. Owing to the development of pesticide resistance and environmental contamination, ecofriendly pesticides are desirable for FAW control. Azadirachtin is a plant‐derived natural pesticide with low toxicity to humans and the natural environment. Azadirachtin is primarily applied by foliar spraying; however, this approach lowers the efficacy of controlling target insects owing to photodegradation and might give a harmful effect on nontarget beneficial insects. Thus, we investigated whether applying azadirachtin to soil improves FAW control and its toxicity to corn plants. Soil drainage of azadirachtin exhibited no phytotoxic effects on corn plants but significantly reduced the larval body weight and delayed the developmental period of each larval instar of FAW. Applying 10, 15, and 20 ppm azadirachtin to soil inhibited larval growth by 68%, 76%, and 91%, respectively. Furthermore, the survival rate of FAW gradually decreased when larvae were fed azadirachtin‐treated corn leaves. Collectively, this is the first study suggesting the systemic efficacy of azadirachtin by soil drenching against FAW.
Association Between Bruton's Tyrosine Kinase Gene Overexpression and Risk of Lymphoma in Primary Sjögren's Syndrome
Authors: Duret Pierre‐Marie , Schleiss Cedric , Kawka Lou , Meyer Nicolas , Ye Tao , Saraux Alain , Devauchelle‐Pensec Valérie , Seror Raphaele , Larroche Claire , Perdriger Aleth , Sibilia Jean , Vallat Laurent , Fornecker Luc‐Matthieu , Nocturne Gaetane , Mariette Xavier , Gottenberg Jacques‐Eric
Published: April 2023

Objective

We undertook this study to analyze whole blood gene expression and to investigate the role of B cell genes in primary Sjögren's syndrome–related non‐Hodgkin lymphoma (primary SS‐NHL).

Methods

Peripheral whole blood samples were collected from 345 well‐phenotyped patients with primary SS enrolled in the prospective Assessment of Systemic Signs and Evolution in Sjögren's Syndrome (ASSESS) cohort. Transcriptomic analysis was performed using human Clariom S Arrays (Affymetrix). In our primary analysis, we considered patients with incident lymphoma (i‐primary SS‐NHL) as the case group and all patients without lymphoma as the comparison group. In our sensitivity analyses, we considered all patients with primary SS‐NHL, including those with a history of lymphoma (h‐primary SS‐NHL), as the case group and primary SS patients without lymphoma, stratified on their risk factors of lymphoma, as the comparison group.

Results

Twenty‐one patients with primary SS‐NHL (including 8 with i‐primary SS‐NHL and 13 h‐primary SS‐NHL) were eligible for transcriptomic analysis; we compared these patients to 324 primary SS controls without lymphoma, including 110 with moderate to severe disease activity and 61 with no risk factor of lymphoma. Functional clustering analyses revealed an enrichment of genes related to innate and adaptive immunity, including B cell–related genes. Bruton's tyrosine kinase (BTK) and a proliferation‐inducing ligand (APRIL) genes were overexpressed before the occurrence of lymphoma in patients with incident lymphoma compared with patients without lymphoma. In sensitivity analyses, BTK was consistently up‐regulated across all comparisons performed. BTK expression was associated with risk of lymphoma on multivariate analyses, which considered 9 validated predictors of lymphoma in primary SS.

Conclusion

BTK and APRIL were overexpressed in the peripheral blood of primary SS patients prior to lymphoma. The association between BTK, APRIL, and primary SS‐NHL requires confirmation in other prospective cohorts.

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Kennzahlen für das Erhaltungsmanagement von Wasserbauwerken auf Basis von Schadensdaten
Authors: Seiffert Annemarie , Elting Sarah , Nyobeu Fangue François Marie
Published: April 2023

Die Kombination aus Personalmangel, knappen Investitionsmitteln und Überalterung des Infrastrukturbestands hat den Druck auf die Erhaltung der Verkehrswasserbauwerke erhöht. Die exakte Zustandsbewertung bestehender Bauwerke nimmt daher eine immer wichtigere Rolle bei der Beurteilung der Dringlichkeit von Investitionsmaßnahmen ein. Die hierfür im Wasserbau angewandte vierstufige Schadensbewertung führt jedoch zu vergleichsweise wenig differenzierten Zustandsnoten. Dem steht der Bedarf an detaillierten Informationen zum Handlungsbedarf gegenüber. Untersuchungen zu Kennzahlen für das Erhaltungsmanagement haben sich in einem Forschungsprojekt der Bundesanstalt für Wasserbau dieser Problematik angenommen. Im Ergebnis stehen anforderungsspezifische Zustandskennzahlen. Sie erweitern die Schadensbeurteilung des Inspektionspersonals um eine Klassifizierung der Schadensauswirkung auf der Basis von Schadensdaten. Die entwickelten Kennzahlen können als ein Indikator für einen erhöhten Erhaltungsbedarf gesehen werden, der durch weitere für das Erhaltungsmanagement relevante Informationen, z. B. Kosten, standardisierte Erhaltungsmaßnahmen, ergänzt werden kann.
Design and fabrication of a microfluidic system with embedded circular channels for rotary cell culture
Authors: Mitxelena‐Iribarren Oihane , Bujanda Xabier , Zabalza Laura , Alkorta Janire , Lopez‐Elorza Aitziber , Gracia Raquel , Dupin Damien , Arana Sergio , Ruiz‐Cabello Jesús , Mujika Maite
Published: April 2023

The development of functional blood vessels is today a fundamental pillar in the evaluation of new therapies and diagnostic agents. This article describes the manufacture and subsequent functionalization, by means of cell culture, of a microfluidic device with a circular section. Its purpose is to simulate a blood vessel in order to test new treatments for pulmonary arterial hypertension. The manufacture was carried out using a process in which a wire with a circular section determines the dimensions of the channel. To fabricate the blood vessel, cells were seeded under rotary cell culture to obtain a homogeneous cell seeding in the inner wall of the devices. This is a simple and reproducible method that allows the generation of blood vessel models in vitro.
Humoral and cellular immune response to second and third severe acute respiratory syndrome coronavirus 2 mRNA vaccine in patients with plasma cell dyscrasia
Authors: Suzuki Tomotaka , Kusumoto Shigeru , Kamezaki Yoshiko , Hashimoto Hiroya , Nishitarumizu Nozomi , Nakanishi Yoko , Kato Yukiyasu , Kawai Akimi , Matsunaga Naohiro , Ebina Toru , Nakamura Tomoyuki , Marumo Yoshiaki , Oiwa Kana , Kinoshita Shiori , Narita Tomoko , Ito Asahi , Inagaki Atsushi , Ri Masaki , Komatsu Hirokazu , Aritsu Takashi , Iida Shinsuke
Published: April 2023

Background

The recently developed severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) mRNA vaccine has a short history of use and further information is needed regarding its efficacy, especially in immunocompromised conditions, such as plasma cell dyscrasia (PCD).

Methods

We retrospectively measured serum SARS‐CoV‐2 antibodies against the spike protein (S‐IgG) after the second and third mRNA vaccine doses (doses 2 and 3, respectively) in 109 patients with PCD. We evaluated the proportion of patients with an adequate humoral response (defined as S‐IgG titers ≥300 antibody units/mL).

Results

Although active anti‐myeloma treatments prior to vaccination had a significantly negative impact on adequate humoral response, specific drug subclasses including immunomodulatory drugs, proteasome inhibitors, and monoclonal antibodies were not negatively associated, except for B‐cell maturation antigen‐targeted therapy. Dose 3 (booster vaccination) led to significantly higher S‐IgG titers and more patients acquired an adequate humoral response. Furthermore, evaluation of vaccine‐induced cellular immune response in patients using T‐spot Discovery SARS‐CoV‐2 kit, revealed an enhanced cellular immune response after Dose 3.

Conclusions

This study highlighted the significance of booster SARS‐CoV‐2 mRNA vaccination in patients with PCD with respect to humoral and cellular immunity. Moreover, this study highlighted the potential impact of certain drug subclasses on vaccine‐induced humoral immune response.
Relationship between coronary volume, myocardial mass, and post‐PCI fractional flow reserve
Authors: Mileva Niya , Ohashi Hirofumi , Paolisso Pasquale , Leipsic Jonathon , Mizukami Takuya , Sonck Jeroen , Norgaard Bjarne L. , Otake Hiromasa , Ko Brian , Maeng Michael , Munhoz Daniel , Nagumo Sakura , Belmonte Marta , Vassilev Dobrin , Andreini Daniele , Barbato Emanuele , Koo Bon‐Kwon , De Bruyne Bernard , Collet Carlos
Published: April 2023

Background

Fractional flow reserve (FFR) measured after percutaneous coronary intervention (PCI) carries prognostic information. Yet, myocardial mass subtended by a stenosis influences FFR. We hypothesized that a smaller coronary lumen volume and a large myocardial mass might be associated with lower post‐PCI FFR.

Aim

We sought to assess the relationship between vessel volume, myocardial mass, and post‐PCI FFR.

Methods

This was a subanalysis with an international prospective study of patients with significant lesions (FFR ≤ 0.80) undergoing PCI. Territory‐specific myocardial mass was calculated from coronary computed tomography angiography (CCTA) using the Voronoi's algorithm. Vessel volume was extracted from quantitative CCTA analysis. Resting full‐cycle ratio (RFR) and FFR were measured before and after PCI. We assessed the association between coronary lumen volume (V) and its related myocardial mass (M), and the percent of total myocardial mass (%M) with post‐PCI FFR.

Results

We studied 120 patients (123 vessels: 94 left anterior descending arteries, 13 left Circumflex arteries, 16 right coronary arteries). Mean vessel‐specific mass was 61 ± 23.1 g (%M 39.6 ± 11.7%). The mean post‐PCI FFR was 0.88 ± 0.06 FFR units. Post‐PCI FFR values were lower in vessels subtending higher mass (0.87 ± 0.05 vs. 0.89 ± 0.07, p = 0.047), and with lower V/M ratio (0.87 ± 0.06 vs. 0.89 ± 0.07, p = 0.02). V/M ratio correlated significantly with post‐PCI RFR and FFR (RFR r = 0.37, 95% CI: 0.21−0.52, p < 0.001 and FFR r = 0.41, 95% CI: 0.26−0.55, p < 0.001).

Conclusion

Post‐PCI RFR and FFR are associated with the subtended myocardial mass and the coronary volume to mass ratio. Vessels with higher mass and lower V/M ratio have lower post‐PCI RFR and FFR.
Lead‐Free Perovskite Cs2SnBr6/rGO Composite for Photocatalytic Selective Oxidation of 5‐Hydroxymethylfurfural to 2,5‐Diformylfuran
Authors: Yin Liwen , Wu Yaqiang , Bao Xiaolei , Liu Xiaolei , Dai Dujuan , Zhang Minghui , Wang Zeyan , Zheng Zhaoke , Liu Yuanyuan , Cheng Hefeng , Dai Ying , Huang Baibiao , Wang Peng
Published: April 2023

Severe poisonousness and prolonged instability existing in organic‐inorganic lead‐based perovskite are two matters seriously hindering its potential future application in photocatalysis. Therefore, it is particularly important to explore ecology‐friendly, air‐stable and highly active metal‐halide perovskites. Herein, a new and stable lead‐free perovskite Cs2SnBr6 decorated with reduced graphene oxide (rGO), is synthesized and employed in the photocatalytic organic conversion. The as‐prepared Cs2SnBr6 is ultrastable, exhibiting no clear changes after being placed in the air for six months. The Cs2SnBr6/rGO composite shows excellent photocatalytic activity in photo‐driven‐oxidation of 5‐hydroxymethylfurfural (HMF) to high value enclosed 2,5‐diformylfuran (DFF), achieving>99.5 % conversion of HMF and 88 % DFF selectivity in the presence of green oxidant O2. Comprehensive characterizations disclose a multistep reaction mechanism, demonstrating that the molecular oxygen, photogenerated carriers, ⋅O2− and 1O2 altogether synergistically participate in the effective photo‐driven conversion of HMF to DFF. This work expands the material gallery towards selective organic conversion and environmentally friendly perovskite options for photocatalytic application.
σ,π‐Conjugated Bis(germylene) Adducts with NHC and CAACs
Authors: Thömmes Anna‐Lena , Morgenstern Bernd , Zimmer Michael , Andrada Diego M. , Scheschkewitz David
Published: April 2023

Heavier tetrylenes attract attention for their potential in synthesis, catalysis and small molecule activation. The coordination byN‐heterocyclic carbenes (NHCs) and cyclic (alkyl)(amino)carbenes (CAACs) results in substantial structural and electronic differences although typically only one of these yields stable derivatives for one and the same tetrylene. We now report both NHC‐ and CAAC‐coordination to a bridged bis(germylene) motif. The NHC‐coordinated bis(germylene) exhibits pyramidal germanium centers with lone pairs of electrons, while with CAAC an unprecedented stable bis(germene) with two Ge=C bonds is isolated. Spectroscopic and crystallographic evidence as well as DFT calculations confirm the effects of σ,π‐conjugation between the two germanium centers in both cases. The coordination of NHC is reversible as the reaction with BPh3liberates the transient bis(germylene) and thus provides an alternative low‐temperature route towards polymers with Ge=Ge bonds.
Proton acceleration from TiH2 target plasma produced by different pulse laser intensity
Authors: Torrisi L. , Torrisi A.
Published: April 2023

The laser irradiation of TiH2 targets has been investigated to measure the proton energy transferred by hot non‐equilibrium plasmas in vacuum. The proton and titanium emission have been monitored by time‐of‐flight measurements to evaluate their maximum ion energy and dependence on the laser intensity. Backward and forward plasma have been generated in the range 1010–1016 W/cm2 intensity using ns and sub‐ns laser shots. Proton energy has been measured by tens eV up to about 4 MeV. The interest in proton beams generated by laser‐plasma is presented and discussed.
Bethesda system reporting rates, histological follow‐up and HPV genotypes distribution of abnormal cytology in Anhui province of China: Analysis of 93,168 cervical liquid‐based cytology test reports
Authors: Xu Hongliang , Chen Yong , Zhao Caixia , Wang Qin , Tang Man , Zhang Weiqin , Wang Qing , Lou Rong , Liu Tingting , Feng Yi , Zhang Heping
Published: April 2023

Objective

To analyze the Bethesda System reporting rates, histological follow‐up, and HPV genotypes distribution of abnormal cytology in Anhui province of China.

Methods

According to the Bethesda Reporting System of Cervical Cytology (2014), a retrospective analysis of the cervical liquid‐based cytology (LBC) results, abnormal cytology with concurrent HPV genotype testing, and immediate histological follow‐up. HPV genotype testing was performed for 15 High‐risk types and 6 Low‐risk types. Immediate histological correlation results within 6 months after the LBC and HPV results.

Results

6.70% of women with abnormal LBC results, and ASC/SIL was 1.42. The severe histological results in abnormal cytology were ASC‐US (18.58%), ASC‐H (53.76%), LSIL (16.62%), HSIL (82.07%), SCC/ACa (100.00%), AGC (63.77%). The total HPV‐positive rate in abnormal cytology was 70.29%, of which ASC‐US, ASC‐H, LSIL, HSIL, SCC/ACa, and AGC were 60.78%, 80.83%, 83.05%, 84.93%, 84.51%, 33.33%. The top three detected genotypes were HR HPV 16, 52, and 58. The most commonly detected genotype in HSIL and SCC/ACa was HPV 16. Of the 91 AGC patients, 34.78% were cervical lesions, and 42.03% were endometrial lesions. The HPV‐positive rate in the group of AGC‐FN was highest and lowest in the group of AGC‐EM.

Conclusion

The Bethesda System reporting rates of cervical cytology were all within the benchmark range of the CAP laboratory. HPV 16, 52, and 58 were the most common genotypes in our population, and HPV 16 infection has a higher degree of malignancy of cervical lesions. Among patients with ASC‐US results, HPV positive patients had a higher rate of biopsy‐detected CIN2+ than HPV negative patients.
All‐trans retinoic acid inhibits oxidative stress via ACE2/Ang (1–7)/MasR pathway in renal tubular epithelial cells stimulated with high glucose
Authors: Zhu Xiaojuan , Mou Zhixiang , Han Wei , Chen Lan
Published: April 2023

The aim of this study was to investigate the effects of all‐trans retinoic acid (atRA) on oxidative stress in renal tubular epithelial cells induced by high glucose (HG) and its potential mechanism. We investigated the effects of atRA in HG‐induced renal epithelial cell line HK‐2. Seven groups were designed for this experiment: negative control, mannitol, high‐glucose (HG), HG combined with a low concentration of atRA, HG combined with a middle concentration of atRA, HG combined with a high concentration of atRA, and HG combined with captopril. After 48 h of incubation, oxidative stress factor expression in the supernatant was detected by enzyme‐linked immunosorbent assay. Reactive oxygen species and cell apoptosis expression were assessed by flow cytometry. NADPH oxidase, fibrosis factor, and angiotensin‐converting enzyme 2/angiotensin (1–7)/mas receptor (ACE2/Ang (1–7)/MasR) pathway‐related protein expressions were determined by western blot analysis. The expressions of oxidative stress factors, NADPH oxidase components, and fibrosis factors were significantly higher after HG treatment. Apoptosis of HK2 cells in the HG group was also significantly higher. AtRA could reverse the above abnormal changes in a concentration‐dependent manner. HG significantly promoted the expression of ACE, Ang II, and Ang II type 1 receptor (AT1R), whereas it inhibited the expression of ACE2, Ang (1–7), and MasR. With the elevation of concentration, atRA could gradually suppress the expression of ACE, Ang II, and AT1R, but facilitate ACE2, Ang (1–7), and MasR. These results were statistically significant. AtRA could significantly inhibit oxidative stress and apoptosis of renal tubular epithelial cells induced by HG. The mechanism may inhibit the ACE/Ang II/AT1R pathway and/or activate ACE2/Ang (1–7)/MasR pathway.
Future of dermal fillers
Authors: Strat Nicholas , Snyder Alan , Schlesinger Todd
Published: April 2023

The advancement of dermal fillers has progressed from animal collagen extraction to a spectrum of recombinant DNA, nanotechnology, and biostimulation. Consumers now have a variety of fillers to choose from, including organic fillers composed of hyaluronic acid and calcium hydroxyapatite, as well as synthetic fillers made from poly‐l‐lactic acid and polymethylmethacrylate. This piece serves to add to the open dialogue discussing the prognosis, prospects, and potential pitfalls of dermal fillers. Expansion of product indications and technical alterations are currently changing the dermal fillers' landscape. The potential for new approaches to side effect mitigation or adjunct pigment modification is still exploratory. Furthermore, with social implications increasingly coming into frame, healthcare providers and companies seem geared toward developing effective, safe, and equitable products while maintaining a process of rigorous review and quality control processes. As such, future developments of this medical tool appear promising; fillers seem poised to imbue a role as dynamic as the tissues they were conceived to restore.
Phylogeography and cohesion species delimitation of California endemic trapdoor spiders within the Aptostichus icenoglei sibling species complex (Araneae: Mygalomorphae: Euctenizidae)
Authors: Newton Lacie G. , Starrett James , Jochim Emma E. , Bond Jason E.
Published: April 2023

Species delimitation is an imperative first step toward understanding Earth's biodiversity, yet what constitutes a species and the relative importance of the various processes by which new species arise continue to be debatable. Species delimitation in spiders has traditionally used morphological characters; however, certain mygalomorph spiders exhibit morphological homogeneity despite long periods of population‐level isolation, absence of gene flow, and consequent high degrees of molecular divergence. Studies have shown strong geographic structuring and significant genetic divergence among several species complexes within the trapdoor spider genus Aptostichus, most of which are restricted to the California Floristic Province (CAFP) biodiversity hotspot. Specifically, the Aptostichus icenoglei complex, which comprises the three sibling species, A. barackobamai, A. isabella, and A. icenoglei, exhibits evidence of cryptic mitochondrial DNA diversity throughout their ranges in Northern, Central, and Southern California. Our study aimed to explicitly test species hypotheses within this assemblage by implementing a cohesion species‐based approach. We used genomic‐scale data (ultraconserved elements, UCEs) to first evaluate genetic exchangeability and then assessed ecological interchangeability of genetic lineages. Biogeographical analysis was used to assess the likelihood of dispersal versus vicariance events that may have influenced speciation pattern and process across the CAFP's complex geologic and topographic landscape. Considering the lack of congruence across data types and analyses, we take a more conservative approach by retaining species boundaries within A. icenoglei.
Synthesis of Methylene Tetrahydrofurane‐Fused Carbohydrates
Authors: Ahmadian‐Moghaddam Maryam , Reintjens Niels R. M. , Witte Martin D. , Minnaard Adriaan J.
Published: April 2023

A reliable method is disclosed to introduce a fused methylene tetrahydrofuran ring into carbohydrates. The resulting bicyclic saccharides can be used as scaffolds in medicinal chemistry and drug design. In addition, the enol ether functionality serves as a handle that enables modification in biological systems via photoclick chemistry. The approach is based on the regioselective oxidation of the C‐3 hydroxy group in gluco‐configured pyranosides, followed by stereoselective indium‐mediated allylation. The ring formation is induced by an iodocyclization reaction with a neighboring hydroxy group. Subsequent dehydrohalogenation affords the desired methylene‐tetrahydrofuran‐containing carbohydrates.
Materials and device designs for thermophotovoltaic power conversion
Authors: McCann Patrick J. , Khodr Majed
Published: April 2023

Two IV–VI semiconductor alloys, Pb0.81Sn0.19Se and Pb0.8Sr0.2Se, are proposed for use in designing multiple quantum well (MQW) materials and devices for thermophotovoltaic (TPV) power conversion. These materials can be epitaxially grown on silicon substrates, so they offer the potential for a low cost TPV device manufacturing technology. MQW materials examples are provided for fabricating triple junction TPV devices for power conversion with a 1400°C radiator. Optimal n‐type and p‐type layer thicknesses for each junction were determined using internal quantum efficiency expressions derived assuming all photogenerated charge collection is by diffusion. Depending on MQW material quality and assumed optical absorption levels, predicted power generation for current matched triple junction devices ranged from 1.7 to 4.6 W/cm2 and power conversion efficiencies ranged from 15.9% to 35.7%. These device performance parameters were used in a levelized cost of energy (LCOE) calculation to predict the cost of energy provided by TPV devices with a molten silicon thermal energy storage system. Results show that even for TPV devices fabricated from low quality materials, such energy storage systems will have a low enough LCOE to be competitive with other forms of energy storage and power generation.
Effect of plasma jet on electrochemical properties of silk fibroin hydrogel doped with PEDOT:PSS
Authors: Zhou Jian , Lu Fu , Cong Jing , Wu Zhengwei
Published: April 2023

In this study, by injecting cold plasma into the silk fibroin (SF) solution, and adding poly (3,4‐ethylenedioxythiophene): polystyrene sulfonic acid (PEDOT:PSS) into the SF solution, the conductive SF‐PEDOT:PSS hydrogel modified by plasma was successfully prepared. The changes of the electrochemical parameters and structure of SF‐PEDOT:PSS hydrogels after plasma modification were observed with plasma discharge time (60, 120, 180 s) and the type of working gas (Ar, air, He) as variables. The results of electrochemical impedance spectroscopy show that both argon plasma and helium plasma can reduce the impedance of SF‐PEDOT:PSS hydrogel in the extremely low‐frequency range (10−2–10° Hz), and a longer discharge time shrinks the impedance, while the impact of air plasma on the impedance of hydrogel is not obvious. The capacitance results show that both argon and helium plasma can make the capacitance of hydrogel larger, and the longer discharge time leads to the larger capacitance. While air plasma can reduce the capacitance of hydrogel. The results of Fourier infrared absorption spectroscopy and X‐ray diffraction spectrum show that the secondary structure of SF is mainly β‐fold. The results of Raman show that PEDOT:PSS is successfully incorporated into hydrogel, and there exists random coil conformation of SF in hydrogel. The results of X‐ray photoelectron spectroscopy show that the SF‐PEDOT:PSS hydrogel mainly contains C, O, and N elements.
Investigation of the process of perforating hard roof in an innovative technology of directional roof‐cutting by composite blasting
Authors: Ma Bochao , Tai Yang , Li Yong , Xia Hongchun , Meng Xiangbin
Published: April 2023

The hard roof in coal mines will induce strong pressure problems for the working face and the lanes, which will seriously affect the safe and efficient production of the mine. For these issues, our team developed a new technology of cutting hard roof by composite blasting. With the new technology, a penetrating process is key to the directionally cut roof. Thus, an arbitrary Lagrange–Euler method is proposed to calculate the penetrating process. In this method, it was taken that the Jones–Wilkins–Lee constitutive model, Johnson–Cook constitutive model, and Holmquist–Johnson–Cook constitutive model to build a numerical model, by LS‐DYNA software, of the process of the penetrating the hard roof. Finally, the following conclusions were obtained: (1) The velocity variation law of metal liner from head to tail is revealed. The speeds of the metal liner's head and tail are 3500 and 450 m/s, respectively. (2) The shape of the channel formed by shaped charge jets is like a funnel, whose mouth's depth and diameter are 33 and 49 mm, respectively. The funnel's narrow diameter is 7.5 mm. (3) With the increase of the channel depth, the rock damage area changes in three different states: slow increase, rapid increase, and linear increase. Then, a shovel‐shaped geometric model of rock damage zone is established, whose key size parameters in the model are given.
Evaluation of phytoconstituents of Triticum aestivum grass extracts on nutritional attributes, antioxidant, and antimicrobial activities against food pathogens with molecular in silico investigation
Authors: Kaviya Mohandass , Balamuralikrishnan Balasubramanian , Sangeetha Thangavelu , Senthilkumar Natchiappan , Malaisamy Arunkumar , Sivasamy Murugasamy , Poorni Loganathan , Pushparaj Karthika , Arun Meyyazhagan , Anand Arumugam Vijaya
Published: April 2023

The plant‐based medicine and diet is gaining importance in recent days. The consumption of Triticum aestivum grass in the form of juice and tablets is increasing among common people. The present study elaborates on the nutritional, antioxidant, and antimicrobial potential of a nongenetically modified type of T. aestivum grass, along with the evidence of molecular docking studies. The T. aestivum grass extracts like decoction, aqueous, ethanol, and chloroform were subjected to preliminary phytochemical tests, quantitative estimation, antioxidant analysis, and antimicrobial activity determination. The ethanolic extract that had good antioxidant and antimicrobial potential was subjected to gas column–mass spectroscopy (GC–MS) analysis and the compounds identified were docked against the antioxidant and antimicrobial receptors. The decoction and aqueous extracts performed well in preliminary qualitative tests with the presence of most of the phytochemicals tested. The decoction, aqueous, and ethanolic extracts possessed good concentrations of the phytochemicals. The decoction had about 210.83 ± 9.16 and 154.16 ± 0.33 mg/g of carbohydrates and proteins, respectively, while the aqueous extract had about 10.91 ± 0.08 mg/g of amino acids and the ethanolic extract had about 52.5 ± 1.4 mg/g of phenolic content, which were the highest concentration of the phytochemicals observed among the extracts. Along with phytochemical potential, good antioxidant potential in the DPPH and ABTS by decoction as well as ethanolic extract with nearly 40 and 90% inhibition, respectively, and in FRAP by aqueous extract with maximum OD value. The ethanolic extract exhibited the best inhibition potential against the Staphylococcus aureus about 28 ± 1 mm, Pseudomonas aeruginosa with 20 ± 2 mm, Bacillus cereus at 20 ± 1 mm by the ethanolic extract at 200 μg concentration, and Aspergillus fumigatus and A. niger at 15 ± 0 mm by the aqueous extract at 200 μg concentration. The GC–MS analysis revealed the presence of terpenoids, alkaloids, and phenols, which on docking had highest binding capacity toward the antioxidant and antimicrobial receptors.
Comprehensive commodity price forecasting framework using text mining methods
Authors: An Wuyue , Wang Lin , Zhang Dongfeng
Published: April 2023

Exploiting advanced and appropriate methods to construct high‐quality features from different types of data becomes crucial in agricultural futures price forecasting. Thus, this study develops a comprehensive commodity price forecasting framework using text mining methods. First, the modal features of the price series are extracted using the proposed Integrated‐EEMD‐VMD‐SE method, and dynamic topic sentiment features are constructed from Weibo texts using the proposed dynamic topic model joint sentiment analysis method. Second, combined with statistical variables, lag order selection and feature selection are performed on these comprehensive factors. Finally, 12 comparative prediction models are designed based on random forest (RF), long short‐term memory (LSTM), and multilayer perceptron (MLP), and empirical analysis is carried out on two cases of pork prices and soybean futures prices. The experimental results show that the proposed prediction framework has high prediction accuracy, and the mean absolute percentage error (MAPE) values are 1.00 and 0.92, respectively. The constructed time series modal features and dynamic topic sentiment features can significantly improve the performance of the prediction model.
Lymph node ratio‐based prognostic model for risk stratification and individualized adjuvant therapy for postoperative major salivary duct carcinoma
Authors: Zhang Di , Li Lixi
Published: April 2023

Background

To investigate the value of lymph node ratio (LNR) for postoperative major salivary duct carcinoma (MSDC) and to establish a model for prognosis assessment and treatment optimization.

Methods

Data of MSDC were retrieved in public database, and prognostic factors were identified by univariate and multivariate analyses. A nomogram and risk stratification system were constructed.

Results

Four hundred and eleven eligible patients were included (training cohort vs. validation cohort: 287: 124). LNR ≥0.09 was associated with worse overall survival (OS). Age at diagnosis, sex, T stage, and LNR were identified as prognostic factors and integrated into nomogram. Low‐risk patients were found to have better OS than high‐risk patients. Furthermore, postoperative radiotherapy (PORT) significantly improved OS in the high‐risk subgroup, but chemotherapy did not confer a long‐term survival benefit.

Conclusions

A nomogram model integrating LNR could better assess postoperative prognosis and risk stratification in MSDC, and identify patients who might benefit from PORT to avoid overtreatment.
Influences of increasing water release of the Three Gorges Reservoir during dry season on water regimes of downstream lake
Authors: Li Xianghu , Ye Xuchun , Yao Jing , Lin Yaling , Xu Chengyu , Yuan Canyu
Published: April 2023

The severe and frequent drought in Poyang Lake, the largest freshwater lake in China, has seriously affected the local water resources security and wetland ecological security. Especially, the impoundment of the Three Gorges Reservoir (TGR) in the Yangtze River further aggravated the drought in lake. To explore the approaches to alleviate drought in Poyang Lake, this study simulated and quantified the influences of increasing water release of the TGR during the dry periods on water regimes of Poyang Lake, including the lake water level, duration of low water, flow velocity, flow field of lake, as well as potential suitable habitat area of migratory birds, based on a hydrodynamic model. Major results showed that the increase of water release of the TGR raised the lake water level, especially in the northern lake area, with the average lake level increase of 0.2–1.08 m and the lowest lake level increase of 0.16–0.68 m. Meanwhile, the duration of low water was significantly shortened, from 127 days to 87–116 days (threshold lake level of 12.0 m) at Xingzi station. In addition, the hydrodynamic simulations revealed that the increasing water release of the TGR reduced the lake flow velocity and discharge of Poyang Lake, which decreased the outflow of lake by 1.66–17.87 × 108 m3, accounting for about 0.47%–5.11% of the total outflow in the dry season. Finally, the potential suitable habitat area with 0.2–0.6 m water depth increased by 1.7–27.9 km2 in December–February, and showed a significant expansion trend in the central area of Poyang Lake. Outcomes of the study are useful for understanding the influences of water release of the TGR on water regimes of downstream lakes, and can provide valuable references for mitigating lake droughts in complex river–lake system.
Time to move beyond surgical classification systems for endometriosis
Authors: Hernández Cardona María Isabel , Ajewole Christana , Lewis Hannah , Carrillo Jorge F. , Castellanos Mario E. , Barish Stefanie , Villegas Echeverri Juan Diego , Lamvu Georgine
Published: April 2023

Endometriosis is a common condition associated with chronic pelvic pain and infertility. Its pathogenesis is poorly understood, diagnosis relies on laparoscopy, and staging is based on extent of disease. Unfortunately, the current staging systems do not correlate well with pain severity and impact, nor do they predict prognosis, i.e., treatment success and recurrence of disease. In this article, we discuss the strengths and limitations of current staging systems and propose modifications that will enable better classification systems to be developed in the future.