bluuebunny/crossref_metadata_2025 huggingface dataset:
Room‐Temperature Observation of Near‐Intrinsic Exciton Linewidth in Monolayer WS2
Authors: Fang Jie , Yao Kan , Zhang Tianyi , Wang Mingsong , Jiang Taizhi , Huang Suichu , Korgel Brian A. , Terrones Mauricio , Alù Andrea , Zheng Yuebing
Published: February 2022

The homogeneous exciton linewidth, which captures the coherent quantum dynamics of an excitonic state, is a vital parameter in exploring light–matter interactions in 2D transition metal dichalcogenides (TMDs). An efficient control of the exciton linewidth is of great significance, and in particular of its intrinsic linewidth, which determines the minimum timescale for the coherent manipulation of excitons. However, such a control is rarely achieved in TMDs at room temperature (RT). While the intrinsic A exciton linewidth is down to 7 meV in monolayer WS2, the reported RT linewidth is typically a few tens of meV due to inevitable homogeneous and inhomogeneous broadening effects. Here, it is shown that a 7.18 meV near‐intrinsic linewidth can be observed at RT when monolayer WS2 is coupled with a moderate‐refractive‐index hydrogenated silicon nanosphere in water. By boosting the dynamic competition between exciton and trion decay channels in WS2 through the nanosphere‐supported Mie resonances, the coherent linewidth can be tuned from 35 down to 7.18 meV. Such modulation of exciton linewidth and its associated mechanism are robust even in presence of defects, easing the sample quality requirement and providing new opportunities for TMD‐based nanophotonics and optoelectronics.
Micro‐Scale Auxetic Hierarchical Mechanical Metamaterials for Shape Morphing
Authors: Dudek Krzysztof K. , Martínez Julio A. Iglesias , Ulliac Gwenn , Kadic Muamer
Published: February 2022

Shape morphing and the possibility of having control over mechanical properties via designed deformations have attracted a lot of attention in the materials community and led to a variety of applications with an emphasis on the space industry. However, current materials normally do not allow to have a full control over the deformation pattern and often fail to replicate such behavior at low scales which is essential in flexible electronics. Thus, in this paper, novel 2D and 3D microscopic hierarchical mechanical metamaterials using mutually‐competing substructures within the system that are capable of exhibiting a broad range of the highly unusual auxetic behavior are proposed. Using experiments (3D microprinted polymers) supported by computer simulations, it is shown that such ability can be controlled through geometric design parameters. Finally it is demonstrated that the considered structure can form a composite capable of shape morphing allowing it to deform to a predefined shape.
Intelligent Gold Nanoparticles with Oncogenic MicroRNA‐Dependent Activities to Manipulate Tumorigenic Environments for Synergistic Tumor Therapy
Authors: Wang Xiangdong , Yang Tianfeng , Yu Zhi , Liu Tao , Jin Ronghua , Weng Lin , Bai Yongkang , Gooding J. Justin , Zhang Yanmin , Chen Xin
Published: February 2022

Tumorigenic environments, especially aberrantly overexpressed oncogenic microRNAs, play a critical role in various activities of tumor progression. However, developing strategies to effectively utilize and manipulate these oncogenic microRNAs for tumor therapy is still a challenge. To address this challenge, spherical nucleic acids (SNAs) consisting of gold nanoparticles in the core and antisense oligonucleotides as the shell are fabricated. Hybridized to the oligonucleotide shell is a DNA sequence to which doxorubicin is conjugated (DNA‐DOX). The oligonucleotides shell is designed to capture overexpressed miR‐21/miR‐155 and inhibit the expression of these oncogenic miRNAs in tumor cells after tumor accumulation to manipulate genetic environment for accurate gene therapy. This process further induces the aggregation of these SNAs, which not only generates photothermal agents to achieve on‐demand photothermal therapy in situ, but also enlarges the size of SNAs to enhance the retention time in the tumor for sustained therapy. The capture of the relevant miRNAs simultaneously triggers the intracellular release of the DNA‐DOX from the SNAs to deliver tumor‐specific chemotherapy. Both in vivo and in vitro results indicate that this combination strategy has excellent tumor inhibition properties with high survival rate of tumor‐bearing mice, and can thus be a promising candidate for effective tumor treatment.
Photoinduced Annulation of N‐Phenylbenzamides for the Synthesis of Phenanthridin‐6(5H)‐Ones
Authors: Wang Nana , Wang Ding , He Yun , Xi Jin , Wang Tao , Liang Yong , Zhang Zunting
Published: February 2022

A general concise method for the synthesis phenanthridin‐6(5H)‐ones via photoinduced intramolecular annulation of N‐phenylbenzamides was developed. Under argon atmosphere and room temperature, phenanthridin‐6(5H)‐ones were obtained via irradiation N‐phenylbenzamides with a 280 nm UV lamp in the presence of methanesulfonic acid in toluene. The mechanism is illustrated and believed to proceed in the order of amides tautomerization, 6π‐electric cyclization, [1,5]‐H shift, amide‐imidine tautomerization, keto‐enol tautomerism and evolution hydrogen.

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Catalytic Cycloisomerization of Enyne Diesters Derived From 2‐Propargyloxyarylaldehydes
Authors: Kumar Saini Manoj , Kant Verma Shashi , Basak Ashok K
Published: February 2022

A catalytic cycloisomerization of enyne diesters derived from 2‐propargyloxyarylaldehydes is described. The cycloisomerization, catalyzed by 10 mol% In(OTf)3, provides access to 2H‐chromenes bearing diethyl 2‐(hetero)arylidene malonates at 3‐position. This enyne metathesis‐type reaction is also useful for the synthesis of thia‐, aza‐ and quinoline analogs of the 3‐substituted 2H‐chromenes. DDQ mediated oxidative C−N bond formation and further synthetic manipulation enables the conversion of 3‐substituted 2H‐chromene into chromene‐fused molecular scaffold. Pd(0)‐catalyzed intramolecular Heck reaction on suitably substituted 2H‐chromene provides indene‐based molecular scaffold.

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MXene Nanoarchitectonics: Defect‐Engineered 2D MXenes towards Enhanced Electrochemical Water Splitting
Authors: Tang Yi , Yang Chenhui , Xu Xingtao , Kang Yunqing , Henzie Joel , Que Wenxiu , Yamauchi Yusuke
Published: February 2022

2D MXenes‐based nanoarchitectures are being actively explored for electrocatalytic water splitting because they possess physical and physiochemical properties that enhance catalytic activity toward the hydrogen evolution reaction and oxygen evolution reaction. This review systematically summarizes current strategies involved in defect engineering, including introducing atomic vacancies and active edges, and doping with metal and non‐metal atoms, which have been employed to achieve high‐efficiency MXenes‐based catalysts. The electronic structures, optimized adsorption/desorption energies of the intermediates, and possible catalytic mechanisms resulting from various defects are disclosed based on combined experimental results and theoretical calculations. Current challenges and future opportunities for the mechanistic investigation and practical application of defective MXenes‐based catalysts are proposed. This report aims to reveal the nature of defective MXenes electrocatalysts and to provide valuable guidelines for designing defective MXenes‐based nanoarchitectures for various catalytic reactions.
Integrated microfluidic devices for in vitro diagnostics at point of care
Authors: Liu Dan , Wang Ying , Li Xingrui , Li Mengmeng , Wu Qiaoyi , Song Yanling , Zhu Zhi , Yang Chaoyong
Published: February 2022

Given the continuous and growing demand for point of care (POC) diagnostic tests, attention has been shifted toward integration and miniaturization of laboratory protocols into “sample‐in‐answer‐out” devices. Microfluidic technologies have been considered an ideal solution to address the requirements of POC diagnostics since many laboratory functions can be miniaturized and incorporated onto a single integrated chip. In this review, we summarize the advances of integrated microfluidic devices for POC diagnostics in the last 3 years. Particularly, we summarize current materials used for microfluidic chip fabrication, discuss the innovation of versatile integrated microfluidic devices, especially the strategies for simplifying sample preparation in manual or self‐driven systems, and new detection methods of microfluidic chips. In addition, we describe new integrated microfluidic devices for POC diagnostics of protein‐targeted immunodiagnostics, nucleic acid molecular tests, and small molecule metabolites analysis. We also provide future perspectives and current challenges for clinical translation and commercialization of these microfluidic technologies.
Repeated anaphylactic reaction after walking following an intraarticular injection of diclofenac etalhyaluronate sodium during a 3‐day period
Authors: Yanagawa Youichi , Jitsuiki Kei , Kushida Yoshihiro , Morohashi Itaru
Published: February 2022

Background

There has been no English report of repeated anaphylactic reaction after exercise‐induced anaphylaxis due to a single intraarticular injection of diclofenac etalhyaluronate sodium.

Case Presentation

A 60‐year‐old woman felt dyspnea, generalized itching, and urticaria following hypotension a few minutes after receiving an intraarticular injection of diclofenac etalhyaluronate sodium for the first time. She immediately received intramuscular adrenaline administration and her symptoms subsided. However, she received intermittent injections of adrenaline three times for repeated anaphylactic reactions after walking over a 3‐day period, in addition to complication with Kounis syndrome. She was discharged on foot on day 9 without sequelae.

Conclusion

Physicians should have patients who receive intraarticular injection of diclofenac etalhyaluronate sodium walk for a short period and evaluate their status.
The Pseudo‐Natural Product Rhonin Targets RHOGDI
Authors: Akbarzadeh Mohammad , Flegel Jana , Patil Sumersing , Shang Erchang , Narayan Rishikesh , Buchholzer Marcel , Kazemein Jasemi Neda S. , Grigalunas Michael , Krzyzanowski Adrian , Abegg Daniel , Shuster Anton , Potowski Marco , Karatas Hacer , Karageorgis George , Mosaddeghzadeh Niloufar , Zischinsky Mia‐Lisa , Merten Christian , Golz Christopher , Brieger Lucas , Strohmann Carsten , Antonchick Andrey P. , Janning Petra , Adibekian Alexander , Goody Roger S. , Ahmadian Mohammad Reza , Ziegler Slava , Waldmann Herbert
Published: February 2022

For the discovery of novel chemical matter generally endowed with bioactivity, strategies may be particularly efficient that combine previous insight about biological relevance, e.g., natural product (NP) structure, with methods that enable efficient coverage of chemical space, such as fragment‐based design. We describe the de novo combination of different 5‐membered NP‐derived N‐heteroatom fragments to structurally unprecedented “pseudo‐natural products” in an efficient complexity‐generating and enantioselective one‐pot synthesis sequence. The pseudo‐NPs inherit characteristic elements of NP structure but occupy areas of chemical space not covered by NP‐derived chemotypes, and may have novel biological targets. Investigation of the pseudo‐NPs in unbiased phenotypic assays and target identification led to the discovery of the first small‐molecule ligand of the RHO GDP‐dissociation inhibitor 1 (RHOGDI1), termed Rhonin. Rhonin inhibits the binding of the RHOGDI1 chaperone to GDP‐bound RHO GTPases and alters the subcellular localization of RHO GTPases.
Reversible C−C Bond Cleavage of a Cobalt Diketimide into an Elusive Cobalt Aryl Nitrenoid Complex
Authors: Baek Yunjung , Betley Theodore A.
Published: February 2022

The reactivity of (TrL)Co (TrL=5‐mesityl‐1,9‐(trityl)dipyrrin) toward various aryl azides was examined to elucidate the electronic structure and reactivity of dipyrrinato cobalt aryl nitrenoid complexes. Herein, we demonstrate the synthesis of a CoII diketimide complex [(TrL)Co(NC6F5)]2 and its reversible C−C bond cleavage to yield a monomeric Co nitrenoid complex (TrL)Co(NC6F5). Exposure of [(TrL)Co(NC6F5)]2 to an excess amount of an H‐atom donor cleanly affords the CoII anilide complex (TrL)Co(NHC6F5). The half‐order decay of [(TrL)Co(NC6F5)]2 via H‐atom abstraction (HAA) reveals saturation kinetic behavior indicating a pre‐equilibrium between [(TrL)Co(NC6F5)]2 and (TrL)Co(NC6F5) prior to HAA. Furthermore, (TrL)Co(NC6F5) undergoes reductive coupling with another equivalent of azide to furnish the four‐coordinate tetrazido complex (TrL)Co(κ2‐N4(C6F5)2), expulsion of a fluorine atom to afford (TrL)CoF, and N‐group transfer reactivity to PPh3.
Isoselective Hydroformylation of Propylene by Iodide‐Assisted Palladium Catalysis
Authors: Sigrist Michel , Zhang Yang , Antheaume Cyril , Dydio Paweł
Published: February 2022

Isobutanal is a high value bulk material that, in principle, could be produced with 100 % atom‐economy by isoselective hydroformylation of propylene with syngas. However, leading industrial Rh‐ and Co‐catalyzed hydroformylation methods preferentially form n‐butanal over the iso‐product, and methods offering isoselectivity remain underdeveloped. Here we report an iodide‐assisted Pd‐catalyzed hydroformylation of propylene that produces isobutanal with unprecedented levels of selectivity. The method involves PdI2, simple alkyl monophosphines, such as tricyclohexylphosphine, and common green solvents, enabling the title reaction to occur with isoselectivity in up to 50 : 1 iso/n product ratios under industrially relevant conditions (80–120 °C). The catalytic and preliminary mechanistic experiments indicate a key role of the iodide anions in both the catalytic activity and the isoselectivity.
Regio‐, Diastereo‐, and Enantioselective Decarboxylative Hydroaminoalkylation of Dienol Ethers Enabled by Dual Palladium/Photoredox Catalysis
Authors: Zheng Jun , Tang Nana , Xie Hui , Breit Bernhard
Published: February 2022

Intermolecular photocatalytic hydroaminoalkylation (HAA) of alkenes have emerged as a powerful method for the construction of alkyl amines. Although there are some studies aiming at stereoselective photocatalytic HAA reactions, the alkenes are limited to electrophilic alkenes. Herein, we report a highly regio‐, diastereo‐, and enantioselective HAA of electron‐rich dienol ethers and α‐amino radicals derived from α‐amino acids using a unified photoredox and palladium catalytic system. This decarboxylative 1,2‐Markovnikov addition enables the construction of vicinal amino tertiary ethers with high levels of regio‐ (up to >19 : 1 rr), diastereo‐ (up to >19 : 1 dr), and enantioselectivity control (up to >99 % ee). Mechanistic studies support a reversible hydropalladation as a key step.
A Moisture‐Assisted Rechargeable Mg−CO2 Battery
Authors: Zhang Chenyue , Wang Aoxuan , Guo Longyuan , Yi Jin , Luo Jiayan
Published: February 2022

New sustainable energy conversion and storage technologies are required to address the energy crisis and CO2 emission. Among various metal–CO2 batteries that utilize CO2 and offer high energy density, rechargeable Mg−CO2 batteries based on earth‐abundant and safe magnesium (Mg) metal have been limited due to the lack of a compatible electrolyte, operation atmosphere, and unambiguous reaction process. Herein, the first rechargeable nonaqueous Mg−CO2 batteries have been proposed with moisture assistance in a CO2 atmosphere. These display more than 250 h cycle life and maintain the discharge voltage over 1 V at 200 mA g−1. Combining with the experimental observations and theoretical calculations, the reaction in the moisture‐assisted Mg−CO2 battery is revealed to be 2 Mg+3 CO2+6 H2O↔2 MgCO3⋅3 H2O+C. It is anticipated that the moisture‐assisted rechargeable Mg−CO2 batteries would stimulate the development of multivalent metal‐CO2 batteries and extend CO2 fixation and utilization for carbon neutrality.
Determination of highest occupied molecular orbital and cationic structures of cyclopentanone using high‐resolution vacuum ultraviolet mass‐analyzed threshold ionization mass spectrophotometry
Authors: Lee Yu Ran , Kwon Chan Ho
Published: February 2022

The conformational structure of cyclopentanone (CP) and the photoionization dynamics of the corresponding conformer were investigated using the high‐resolution vacuum ultraviolet mass‐analyzed threshold ionization (MATI) spectroscopic technique. To identify the conformer corresponding to the measured MATI spectrum, the potential energy surfaces associated with the twisting and carbonyl wagging motions in the S0 and D0 states were constructed at the B3LYP/cc‐pVTZ level, where the twisted conformer in both states corresponded to the global minimum. Furthermore, the Franck–Condon fitting indicated that the cationic conformer had a warped twisted C1 symmetry rather than C2 symmetry. This implies that the ionization‐induced ring distortion can be principally attributed to the removal of an electron from the highest occupied molecular orbital, which consists of the nonbonding orbital of the oxygen atom in the carbonyl group interacting with the σ orbitals in the ring of the twisted CP conformer.
Synthesis and characterization of β‐carotene‐loaded albumin nanoparticles by high‐speed homogenizer
Authors: Yang Hye Gyeong , Yang Eun‐Ju , Park Eun Ji , Lee Young Jin , Safavi Maryam Sadat , Song Kyung‐Sik , Na Dong Hee
Published: February 2022

β‐Carotene (BC) is a strong antioxidant, but its therapeutic application has been limited by its poor aqueous solubility. Protein‐based nanoparticles (NPs) have been used to increase the aqueous solubility of hydrophobic drugs. In this study, bovine serum albumin (BSA) was used to prepare NPs to encapsulate BC using a high‐speed homogenizer. After homogenization, BC‐BSA‐NPs were formed and the encapsulated BC was dissolved in phosphate‐buffered saline at pH 7.4. Various characterization methods, including dynamic light scattering, transmission electron microscopy, and spectrophotometry, indicated that BC‐BSA‐NPs were spherical with an average size of 112 nm and encapsulated BC with high efficiency. BC encapsulated in NPs was stable during the preparation process and was continuously released in PBS at 37 °C for 3 days. The 2,2‐diphenyl‐1‐picrylhydrazyl and ferric reducing antioxidant power assays demonstrated good antioxidant activity of BC‐BSA‐NPs. These results suggest that BSA‐NPs are a promising nanocarrier for the delivery of BC.
Preparation of Cu(II), Ni(II), Ti(IV), VO(IV), and Zn(II) Metal Complexes Derived from Novel vic‐Dioxime and Investigation of Their Antioxidant and Antibacterial Activities
Authors: Alhafez Anas , Savci Ahmet , Alan Yusuf , Söylemez Rahime , Kilic Ahmet
Published: February 2022

In this work, novel vic‐dioxime ligand (LH2) containing bound to the N4‐oxime core moiety and its complexes with Cu(II), Ni(II), Ti(IV), VO(IV), and Zn(II) salts have been studied. The structure of the ligand and its complexes were successfully synthesized and characterized using NMR (1H and 13C), LC/MS/MS spectrometer, FT‐IR and UV/VIS spectroscopy, melting point, and magnetic susceptibility measurements. Vic‐dioxime ligand (LH2) (1) and its metal complexes ([Cu(LH)2] (2), [Ni(LH)2] (3), [Ti(LH)2]Cl2 (4), [VO(LH)2] (5), and [Zn(LH)2] (6), respectively) were tested for them in‐vitro antibacterial and antioxidant activities. According to the metal chelating results of the study, it was determined that compounds (1), (2), (3), and (6) showed very good activity, and especially compound (2), had a stronger metal chelating capacity due to ligand dissociation from the synthesized metal complexes, which then would chelate Fe(II) in the experimental setting. When microorganisms were evaluated in terms of the % viability effect, it was observed that all compounds had activity against C. Albicans and S. Cerevisiae at rates similar to antibiotics.
Prolapse of a large pedunculated uterine myoma
Authors: Papapanagiotou Ioannis K. , Stavros Sofoklis , Vlachos Dimitrios‐Efthymios , Migklis Kyriaki , Papadatou Konstantina , Papageorgiou Dimitrios , Manouvelou Stamo , Zikopoulos Athanasios , Domali Ekaterini , Drakakis Peter , Rodolakis Alexandros , Thomakos Nikolaos
Published: February 2022

We report a rare case of a large prolapsed pedunculated uterine myoma measuring 15 cm in its greater diameter. In order to make a surgical procedure safe and feasible, appropriate clinical predictors should be taken into account and pre‐ and intraoperative preparations be available to the surgeon's armamentarium.
Optimization of an Oscillatory Flow Crystallizer Based on Heat Transfer and Supersaturation Distribution
Authors: Lian Shi-jun , Sun Ming-qing , Li Qi-fan , Lan Zhong
Published: February 2022

Taking supersaturation and heat transfer rate as evaluation indexes, two typical internal geometries of an oscillatory flow crystallizer (OFC) with circular‐orifice baffles (OFC‐COB) and smooth periodic constrictions (OFC‐SPC) were studied by numerical simulation. The results indicated that OFC‐SPC could provide a relatively high heat transfer rate, supersaturation, and similar or lower power density consumption, as well as a uniform flow field distribution without vortex dead zone. Further, a method to prejudge the supersaturation in oscillatory flow crystallizer is proposed, which would be good guidance to determining the operating parameters.
Environmental and Economic Assessments of Hydrogen Utilization in the Transportation Sector of Iran
Authors: Fayazi Rad Leila , Amini Mohammad , Ahmadi Abolfazl , Hoseinzadeh Siamak
Published: February 2022

The Iranian transportation industry is an energy‐intensive sector with a wide variety of destructive environmental effects. The use of hydrogen is a promising method to reduce CO2 emissions. Methane decomposition is one of the reliable processes to yield hydrogen. In this paper, the levelized cost, technical parameters, and CO2 emissions of each hydrogen production method are determined and discussed. Finally, it is concluded that steam methane reforming is almost a clean and efficient method of hydrogen production. Besides, maximum generated hydrogen values were obtained using the electrolysis process. To be more precise, in this process, the levelized cost of hydrogen production by photovoltaic, wind, and gas‐combined cycle were evaluated .
Controlling the Dual‐Emission Character of Aryl‐Modified o‐Carboranes by Intramolecular CH⋅⋅⋅O Interaction Sites
Authors: Ochi Junki , Yuhara Kazuhiro , Tanaka Kazuo , Chujo Yoshiki
Published: February 2022

It is still challenging to realize a dual‐emission system, in which two luminescent bands simultaneously appear by photoexcitation, in solid with organic dyes due to the difficulty in regulation of electronic properties in the excited state and concentration quenching. o‐Carborane is known to be a versatile platform for constructing solid‐state emitters since the sphere boron cluster is favorable for suppressing intermolecular interactions and subsequently concentration quenching. Here, we show solid‐state dual‐emissive o‐carborane derivatives. We prepared 4 types of o‐carborane derivatives and found dual‐emission behaviors both in solution and solid states. By regulating the rotation at the o‐carborane unit with the intramolecular CcageH⋅⋅⋅O interaction, the dual‐emission intensity ratios were changed. Finally, it was demonstrated that the overall photoluminescence spectra can be estimated using the binding energy of intramolecular interactions.
PROTOCOL: Child and adolescent mental health and psychosocial support interventions: An evidence and gap map of low‐ and middle‐income countries
Authors: Sharma Manasi , Perera Camila , Ipince Alessandra , Bakrania Shivit , Shokraneh Farhad , Idele Priscilla , Anthony David , Banati Prerna
Published: February 2022

This is the protocol for a Campbell evidence and gap map. The objective of this evidence and gap map is to provide an overview of the existing evidence on the effectiveness of interventions aimed at promoting mental health and reducing or preventing mental health conditions among children and adolescents in low‐ and middle‐income countries.
Ligelizumab improves sleep interference and disease burden in patients with chronic spontaneous urticaria
Authors: Giménez‐Arnau Ana , Maurer Marcus , Bernstein Jonathan , Staubach Petra , Barbier Nathalie , Hua Eva , Severin Thomas , Joubert Yolandi , Janocha Reinhold , Balp Maria‐Magdalena
Published: February 2022

Background

Chronic spontaneous urticaria (CSU) negatively impacts patients' sleep, thereby reducing health‐related quality of life (HRQoL). Half of patients with inadequately controlled CSU report sleep interference often or every night, which can lead to depression, anxiety, social, and work‐related problems.

Methods

This randomized, double‐blind, placebo‐controlled Phase 2b core study (NCT02477332) included adult patients ≥18 years with moderate to severe CSU inadequately controlled with H1‐antihistamines. The current analysis includes patients randomized to receive ligelizumab 72 or 240 mg, omalizumab 300 mg or placebo every 4 weeks (q4w) for five injections over 20 weeks with treatment‐free follow‐up for 24 weeks. Patients could enter the open‐label extension study (NCT02649218) from Week 32 onwards if their weekly urticaria activity score was ≥12, which included an open‐label treatment (52 weeks of ligelizumab 240 mg q4w) and a 48‐week post‐treatment follow‐up. Weekly Sleep Interference Scores (SIS7, range 0 [no interference]–21 [substantial interference]), Weekly Activity Interference Score (AIS7), Dermatology Life Quality Index (DLQI) scores, and Overall Work Impairment were assessed.

Results

Mean baseline SIS7 scores were balanced between the treatment arms for ligelizumab 72 mg (n = 84) and 240 mg (n = 85), omalizumab 300 mg (n = 85), and placebo (n = 43). By Week 12, patients experienced large improvements in sleep interference, with least square mean (standard error) changes from baseline (CFB) in SIS7 of −7.84 (0.58), −7.55 (0.61), −6.98 (0.60), and −5.85 (0.81), respectively. By Week 12, CFB in AIS7 were −8.25 (0.57), −8.25 (0.59), −7.30 (0.60), and −5.62 (0.79), DLQI scores were −9.79 (0.77), −9.93 (0.81), −8.35 (0.79), and −6.99 (1.11), and Overall Work Impairment scores were −28.96 (3.73), −30.76 (3.71), −25.74 (3.91), and −20.13 (5.10) for ligelizumab 72 and 240 mg, omalizumab 300 mg and placebo, respectively. Improvements in each patient‐reported outcome were sustained with ligelizumab 240 mg treatment during the extension study.

Conclusions

Ligelizumab showed effective and sustained responses in managing sleep interference in patients with CSU, and numerically higher responses than with omalizumab and placebo. Treating the symptoms of CSU with ligelizumab improved disease burden, HRQoL, and markedly improved sleep quality.
Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO‐Dehydrogenase? Answers from Theory
Authors: Rovaletti Anna , Moro Giorgio , Cosentino Ugo , Ryde Ulf , Greco Claudio
Published: February 2022

The aerobic CO dehydrogenase from Oligotropha carboxidovorans is an environmentally crucial bacterial enzyme for maintenance of subtoxic concentration of CO in the lower atmosphere, as it allows for the oxidation of CO to CO2 which takes place at its Mo−Cu heterobimetallic active site. Despite extensive experimental and theoretical efforts, significant uncertainties still concern the reaction mechanism for the CO oxidation. In this work, we used the hybrid quantum mechanical/molecular mechanical approach to evaluate whether a water molecule present in the active site might act as a nucleophile upon formation of the new C−O bond, a hypothesis recently suggested in the literature. Our study shows that activation of H2O can be favoured by the presence of the Mo=Oeq group. However, overall our results suggest that mechanisms other than the nucleophilic attack by Mo=Oeq to the activated carbon of the CO substrate are not likely to constitute reactive channels for the oxidation of CO by the enzyme.
Stability response of alpine meadow communities to temperature and precipitation changes on the Northern Tibetan Plateau
Authors: Wang Chunyu , Wang Junbang , Zhang Fawei , Yang Yongsheng , Luo Fanglin , Li Yingnian , Li Jiexia
Published: February 2022

Biomass temporal stability plays a key role in maintaining sustainable ecosystem functions and services of grasslands, and climate change has exerted a profound impact on plant biomass. However, it remains unclear how the community biomass stability in alpine meadows responds to changes in some climate factors (e.g., temperature and precipitation). Long‐term field aboveground biomass monitoring was conducted in four alpine meadows (Haiyan [HY], Henan [HN], Gande [GD], and Qumalai [QML]) on the Qinghai‐Tibet Plateau. We found that climate factors and ecological factors together affected the community biomass stability and only the stability of HY had a significant decrease over the study period. The community biomass stability at each site was positively correlated with both the stability of the dominant functional group and functional groups asynchrony. The effect of dominant functional groups on community stability decreased with the increase of the effect of functional groups asynchrony on community stability and there may be a ‘trade‐off’ relationship between the effects of these two factors on community stability. Climatic factors directly or indirectly affect community biomass stability by influencing the stability of the dominant functional group or functional groups asynchrony. Air temperature and precipitation indirectly affected the community stability of HY and HN, but air temperature in the growing season and nongrowing season had direct negative and direct positive effects on the community stability of GD and QML, respectively. The underlying mechanisms varied between community composition and local climate conditions. Our findings highlighted the role of dominant functional group and functional groups asynchrony in maintaining community biomass stability in alpine meadows and we highlighted the importance of the environmental context when exploring the stability influence mechanism. Studies of community stability in alpine meadows along with different precipitation and temperature gradients are needed to improve our comprehensive understanding of the mechanisms controlling alpine meadow stability.
One‐year results following PASCAL‐based or MitraClip‐based mitral valve transcatheter edge‐to‐edge repair
Authors: Geis Nicolas A. , Schlegel Philipp , Heckmann Markus B. , Katus Hugo A. , Frey Norbert , Crespo López Patricia , Raake Philip W.J.
Published: February 2022

Aims

Mitral valve transcatheter edge‐to‐edge repair (TEER) has been established as a suitable alternative to mitral valve surgery in patients with severe mitral regurgitation (MR) and high surgical risk. The PASCAL system represents a novel device, potentially augmenting the toolkit for TEER. The aim of this study was to assess and compare short and 1 year safety and efficacy of the PASCAL and MitraClip systems for TEER.

Methods and results

Procedural, short, and 1 year outcomes of a 1:2 propensity‐matched cohort including 41 PASCAL and 82 MitraClip cases were investigated. Matching was based on clinical, laboratory, echocardiographic, and functional characteristics. The primary endpoints assessed were procedural success [as defined by the Mitral Valve Academy Research Consortium (MVARC)], residual MR, functional class, and a composite endpoint comprising death, heart failure hospitalization, and mitral valve re‐intervention. We found for the PASCAL and the matched MitraClip cohort no significant differences in MVARC defined technical (90.2% vs. 95.1%, P = 0.44), device (90.2% vs. 89.0%, P = 1.0), or procedural (87.8% vs. 80.5%, P = 0.45) success rates. Accordingly, the overall MR reduction and improvement in New York Heart Association (NYHA) class were comparable (1 year follow‐up: MR ≤ 2 95% vs. 93.6%, P = 1.0; NYHA ≤ 2 57.1% vs. 66.7%, P = 0.59). The composite outcome revealed no statistically significant difference between both devices (1 year follow‐up: 31.7% vs. 37.8%, P = 0.55). Interestingly, we found at both short and 1 year follow‐up a significantly higher rate of patients with none or trace MR in the PASCAL‐treated cohort (short follow‐up: 17.9% vs. 0%, P = 0.0081; 1 year follow‐up: 25% vs. 0%, P = 0.0016). Conversely, the rate of aborted device implantations due to an elevated transmitral gradient was higher in PASCAL interventions (9.8% vs. 1.2%, P = 0.04).

Conclusions

Transcatheter edge‐to‐edge repair using the PASCAL or MitraClip device results in favourable and comparable outcomes regarding safety, efficacy, and clinical improvement after 1 year.
Systematic construction and external validation of an immune‐related prognostic model for nasopharyngeal carcinoma
Authors: Lin Weiqun , Cao Di , Dong Annan , Liang Shaobo , Zhao Yongyi , Liu Cuibing , Yan Yinghua , Luo Xiaoliu , Liu Lizhi , Zeng Xinchen , Ou Qiaowen
Published: February 2022

Background

We attempted to identify the most reliable immune‐related index for predicting nasopharyngeal carcinoma (NPC) prognosis and to reveal its precise and integrated relationship with NPC progression.

Method

One thousand seven hundred and six patients with newly diagnosed NPC (1320 from the primary cohort and 386 from the validated cohort) from January 2010 to March 2014 were enrolled. Clinical features and 12 immune‐related variables were analyzed.

Results

A high absolute lymphocyte count (ALC; >3.2 × 109/L) correlated with a poor prognosis of patients with NPC. Significant OS differences were discovered between patients with high ALC and no ALC elevation (p < 0.05, in primary cohort), showing similar prognostic risk to patients with advanced NPC (p > 0.05, in validated cohort). ALC improved the predictive performance of the basic tumor‐node‐metastasis prognostic model (p = 0.025), which was reliably validated in the external independent cohort.

Conclusion

High ALC is a surrogate marker for improved prognostic risk stratification in NPC.
Prognostic value of hypothyroidism in patients undergoing intensity‐modulated radiation therapy for nasopharyngeal carcinoma
Authors: Weng Jing‐Jin , Wei Jia‐Zhang , Li Min , Ning Le‐Ping , Liu Fei , Wei Yun‐Zhong , Xiong Wei‐Ming , Zhang Ben‐Jian , Lu Jin‐Long , Jiang He , Lu Qiu‐Tian , Qu Shen‐Hong
Published: February 2022

Background

The purpose of this study was to investigate the effect of hypothyroidism and thyroxine replacement therapy on the prognosis of nasopharyngeal carcinoma (NPC) patients.

Methods

The clinical data of 284 NPC patients, who received intensity‐modulated radiation therapy (IMRT) between January 2011 and December 2016, were retrospectively analyzed.

Results

Hypothyroidism occurred in 38% of patients. Patients with hypothyroidism had significantly better disease‐free survival (DFS) (p = 0.002) and relapse‐free survival (RFS) (p = 0.008). Multivariate analysis showed that hypothyroidism was a positive independent prognostic factor (DFS and RFS). Among the patients with hypothyroidism, thyroxine replacement therapy did not yield inferior survival (DFS, RFS, all p > 0.05).

Conclusions

The NPC patients with complete response are at risk of hypothyroidism, which is attributable to escalating dose. These patients experienced clinical hypothyroidism could be adequately treated with thyroid hormone replacement. Further investigation of the underlying biological mechanism and potential therapeutic implications are required.
Incorporating an urban canopy model with artificial water dissipation into weather research and forecasting: A case study for Beijing
Authors: Luo Zhuoran , Liu Jiahong , Zhang Yongxiang , Zhou Jinjun , Shao Weiwei , Yu Yingdong , Jia Ruitao
Published: February 2022

Urban artificial water dissipation is a concomitant process of human water use in built‐up areas that can absorb heat through evapotranspiration, reduce air temperature, transfer surface water to the atmosphere, and participate in the urban water cycle. In the context of increased urbanization, the impact of artificial water dissipation on urban climates cannot be ignored. In this study, calculation models for artificial water dissipation from different underlying surface types (buildings, hardened ground, soil, and vegetation) were introduced into an urban canopy model and coupled with the weather research and forecasting (WRF) model for mesoscale weather simulations of the Beijing area. Observational datasets of temperature and humidity from automatic weather stations in Beijing were used for validation. Results showed that the coupled model could reproduce the temperature and humidity of urban weather stations in Beijing more accurately compared to simulations that did not employ an urban canopy model or that adopted a traditional urban canopy model. In the Beijing urban area, the latent heat flux of NON, urban canopy model, and artificial water dissipation into the UCM are approximately 0, 35, and 65 W/m2, respectively, and the anthropogenic latent heat is about 30 W/m2. Incorporating urban artificial water dissipation into the urban canopy model reduced the urban air temperature by 0.2°C and increased the specific humidity by 0.6 g/kg, alleviating urban heat island effects and increasing humidity. These findings indicate that artificial urban water dissipation plays an important role in urban weather and climate that should be considered by urban canopy models. In the future, this model can be coupled into WRF for more accurate mesoscale weather simulations.
The potential impact of marine discharges from Fukushima 10 years after the accident
Authors: Vives i Batlle Jordi
Published: February 2022

A previous commentary written on the fifth anniversary of the Fukushima accident described the potential impact of radioactive wastewater on marine organisms, highlighting that the environmental consequences on the marine environment were consequently not as important as feared at the time. In the present article, a new development is considered, namely, the decision to carry out a release of over 106 m3 of Advanced Liquid Processing System-treated wastewater contaminated by radionuclides from the ill-fated Fukushima Daiichi plant into the Pacific Ocean. Although information on the nature of these releases is still rather limited, it is possible to perform a preliminary screening assessment of the potential radiation doses to people and the environment, and this indicates that the radiological impact is very low. Data gaps and the assessment limitations encountered are highlighted, providing direction for future investigations. Integr Environ Assess Manag 2022;18:1530–1538. © 2021 SETAC

KEY POINTS

A preliminary assessment is presented of the potential radiation doses to people and the environment arising from future releases of Fukushima Daiichi contaminated wastewater into the Pacific Ocean. The calculated dose rates to marine fauna and flora for the radionuclides considered are very low and, on that basis, the environment is not at risk. The radiological significance of the discharges to people is negligible compared with the annual natural exposure in Japan, especially considering the conservative nature of our assessment. Independent scientific studies are recommended to investigate the fate and transport of the relevant radionuclides in the environmental and biological ocean compartments.
Development of population‐level colon cancer pathway concordance measures and association with survival
Authors: Ieraci Luciano , Eberg Maria , Forster Katharina , Murray Paula M. , Borg Emmett , Habbous Steven , Esensoy Ali Vahit , Kennedy Erin , Holloway Claire M. B.
Published: February 2022

Clinical cancer pathways help standardize healthcare delivery to optimize patient outcomes and health system costs. However, population‐level measurement of concordance between standardized pathways and actual care received is lacking. Two measures of pathway concordance were developed for a simplified colon cancer pathway map for Stage II‐III colon cancer patients in Ontario, Canada: a cumulative count of concordant events (CCCE) and the Levenshtein algorithm. Associations of concordance with patient survival were estimated using Cox proportional hazards models adjusted for patient characteristics and time‐dependent cancer‐related activities. Models were compared and the impact of including concordance scores was quantified using the likelihood ratio chi‐squared test. The ability of the measures to discriminate between survivors and decedents was compared using the C‐index. Normalized concordance scores were significantly associated with patient survival in models for cancer stage—a 10% increase in concordance for Stage II patients resulted in a CCCE score adjusted hazard ratio (aHR) of death of 0.93, 95% CI 0.88‐0.98 and a Levenshtein score aHR of 0.64, 95% CI 0.60‐0.67. A similar relationship was found for Stage III patients—a 10% increase in concordance resulted in a CCCE aHR of 0.85, 95% CI 0.81‐0.88 and a Levenshtein aHR of 0.78, 95% CI, 0.74‐0.81. Pathway concordance can be used as a tool for health systems to monitor deviations from established clinical pathways. The Levenshtein score better characterized differences between actual care and clinical pathways in a population, was more strongly associated with survival and demonstrated better patient discrimination.
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Authors: Ren Zhihao , Dong Bowei , Qiao Qifeng , Liu Xinmiao , Liu Jinyuan , Zhou Guangya , Lee Chengkuo
Published: February 2022

Bigradient all‐dielectric metamaterials provide subwavelength‐scale on‐chip metalenses solution for dense photonic integrated circuits by structural engineering. (DOI: 10.1002/inf2.12264)

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Thermodynamic basis for comparative photobiomodulation dosing with multiple wavelengths to direct odontoblast differentiation
Authors: Young Nicholas C. , Maximiano Vinicius , Arany Praveen R.
Published: February 2022

Multiple wavelength devices are now available for photobiomodulation (PBM) treatments, but their dosimetry for individual or combinatorial use remains unclear. The present work investigated the effects of 447, 532, 658, 810, 980 and 1064 nm wavelengths on odontoblast differentiation at 10 mW/cm2 using either equal treatment time for conventional fluence (300 seconds for 3 J/cm2) or varying times to adjust for individual wavelength photon fluence (4.6 p.J/cm2). Both 447 and 810 nm significantly increased alkaline phosphatase (ALP) activity, while 1064 nm showed reduced ALP activity at 3 J/cm2. However, ALP induction was significantly improved when equivalent photon fluence dosing was used. Other wavelengths did not show significant changes compared to untreated controls. The data suggest that accounting for wavelength‐specific photon energy transfer during PBM dosing could improve clinical safety and efficacy.
A fast, fully validated GC‐MS method using a simplified pretreatment for the quantification of short and branched chain fatty acids in human stool
Authors: Gray Justin , Guo Baochuan , Bearden Rebecca , Manka Julie
Published: February 2022

The study of short (SCFAs) and branched chain fatty acids (BCFAs) in human stool related to gastrointestinal diseases, gut microbiota, metabolism, and diet has dramatically increased. As a result, a fast, reliable method with minimal pretreatment is needed for quantification of these metabolites (acetic, propionic, isobutyric, butyric, isovaleric, valeric, and caproic acid) in stool. Therefore, a GC‐MS method meeting this criterion was developed. A bias sampling study showed no statistical difference (p > 0.05) in analyte means when comparing 100 mg subsamples of homogenized to non‐homogenized samples (n = 6, p values 0.153–0.910). Stool samples were homogenized, diluted with 80:20 water:methanol (v/v), and adjusted to a pH of 1.5–2.5. Samples were vortexed, centrifuged, and directly injected into the GC‐MS using pulsed splitless injection offering twofold‐to‐threefold signal enhancement over a 10:1 split injection. DB‐FATWAX Ultra Inert Polyethylene Glycol (PEG) Column showed no peak tailing, reduced responses, or retention time shifts after 1,476 stool injections, while other columns failed before 361 injections. Intra‐ and inter‐day accuracy for stool supernatant samples ranged from −10.21% to 8.88% and −13.25% to 9.91%, while intra‐ and inter‐day precision ranged from 0.21% to 1.21% and 0.89% to 2.84% coefficient of variation (CV), respectively. This method demonstrates excellent linearity (0.9999–1.0000) and low limits of quantification (1.50–8.01 μM). Stool samples proved stable stored at −20°C up to 28 days, and recoveries ranged from 85.04% to 106.59%. Matrix effects in stool are non‐significant determined by comparing standard and stool supernatant calibration curve slopes (p > 0.05).
Biglycan has a major role in maintenance of mature tendon mechanics
Authors: Beach Zakary M. , Bonilla Kelsey A. , Dekhne Mihir S. , Sun Mei , Adams Thomas H. , Adams Sheila M. , Weiss Stephanie N. , Rodriguez Ashley B. , Shetye Snehal S. , Birk David E. , Soslowsky Louis J.
Published: February 2022

Decorin and biglycan are two small leucine‐rich proteoglycans (SLRPs) that regulate collagen fibrillogenesis and extracellular matrix assembly in tendon. The objective of this study was to determine the individual roles of these molecules in maintaining the structural and mechanical properties of tendon during homeostasis in mature mice. We hypothesized that knockdown of decorin in mature tendons would result in detrimental changes to tendon structure and mechanics while knockdown of biglycan would have a minor effect on these parameters. To achieve this objective, we created tamoxifen‐inducible mouse knockdown models targeting decorin or biglycan inactivation. This enables the evaluation of the roles of these SLRPs in mature tendon without the abnormal tendon development caused by conventional knockout models. Contrary to our hypothesis, knockdown of decorin resulted in minor alterations to tendon structure and no changes to mechanics while knockdown of biglycan resulted in broad changes to tendon structure and mechanics. Specifically, knockdown of biglycan resulted in reduced insertion modulus, maximum stress, dynamic modulus, stress relaxation, and increased collagen fiber realignment during loading. Knockdown of decorin and biglycan produced similar changes to tendon microstructure by increasing the collagen fibril diameter relative to wild‐type controls. Biglycan knockdown also decreased the cell nuclear aspect ratio, indicating a more spindle‐like nuclear shape. Overall, the extensive changes to tendon structure and mechanics after knockdown of biglycan, but not decorin, provides evidence that biglycan plays a major role in the maintenance of tendon structure and mechanics in mature mice during homeostasis.