bluuebunny/crossref_metadata_2025 huggingface dataset:
Genome Mining Enabled by Biosynthetic Characterization Uncovers a Class of Benzoxazolinate‐Containing Natural Products in Diverse Bacteria
Authors: Shi Yi‐Ming , Crames Jan J. , Czech Laura , Bozhüyük Kenan A. J. , Shi Yan‐Ni , Hirschmann Merle , Lamberth Stefanie , Claus Peter , Paczia Nicole , Rückert Christian , Kalinowski Jörn , Bange Gert , Bode Helge B.
Published: October 2022

Benzoxazolinate is a rare bis‐heterocyclic moiety that interacts with proteins and DNA and confers extraordinary bioactivities on natural products, such as C‐1027. However, the biosynthetic gene responsible for the key cyclization step of benzoxazolinate remains unclear. Herein, we show a putative acyl AMP‐ligase responsible for the last cyclization step. We used the enzyme as a probe for genome mining and discovered that the orphan benzobactin gene cluster in entomopathogenic bacteria prevails across Proteobacteria and Firmicutes. It turns out that Pseudomonas chlororaphis produces various benzobactins, whose biosynthesis is highlighted by a synergistic effect of two unclustered genes encoding enzymes on boosting benzobactin production; the formation of non‐proteinogenic 2‐hydroxymethylserine by a serine hydroxymethyltransferase; and the types I and II NRPS architecture for structural diversity. Our findings reveal the biosynthetic potential of a widespread benzobactin gene cluster.
Structure Elucidation, Total Synthesis, Antibacterial In Vivo Efficacy and Biosynthesis Proposal of Myxobacterial Corramycin**
Authors: Couturier Cédric , Groß Sebastian , von Tesmar Alexander , Hoffmann Judith , Deckarm Selina , Fievet Anouchka , Dubarry Nelly , Taillier Thomas , Pöverlein Christoph , Stump Heike , Kurz Michael , Toti Luigi , Haag Richter Sabine , Schummer Dietmar , Sizun Philippe , Hoffmann Michael , Prasad Awal Ram , Zaburannyi Nestor , Harmrolfs Kirsten , Wink Joachim , Lessoud Emilie , Vermat Thierry , Cazals Veronique , Silve Sandra , Bauer Armin , Mourez Michael , Fraisse Laurent , Leroi‐Geissler Corinne , Rey Astrid , Versluys Stéphanie , Bacqué Eric , Müller Rolf , Renard Stephane
Published: October 2022

Herein, we describe the myxobacterial natural product Corramycin isolated from Corallococcus coralloides. The linear peptide structure contains an unprecedented (2R,3S)‐γ‐N‐methyl‐β‐hydroxy‐histidine moiety. Corramycin exhibits anti‐Gram‐negative activity against Escherichia coli (E. coli) and is taken up via two transporter systems, SbmA and YejABEF. Furthermore, the Corramycin biosynthetic gene cluster (BGC) was identified and a biosynthesis model was proposed involving a 12‐modular non‐ribosomal peptide synthetase/polyketide synthase. Bioinformatic analysis of the BGC combined with the development of a total synthesis route allowed for the elucidation of the molecule's absolute configuration. Importantly, intravenous administration of 20 mg kg−1 of Corramycin in an E. coli mouse infection model resulted in 100 % survival of animals without toxic side effects. Corramycin is thus a promising starting point to develop a potent antibacterial drug against hospital‐acquired infections.
Isolation and Characterization of the Homoleptic Nickel(I) and Nickel(II) Bis‐benzene Sandwich Cations
Authors: Schmitt Manuel , Mayländer Maximilian , Heizmann Tim , Richert Sabine , Bülow Christine , Hirsch Konstantin , Zamudio‐Bayer Vicente , Lau J. Tobias , Krossing Ingo
Published: October 2022

A stable salt of the metalloradical [Ni(C6H6)2]+ hitherto unknown in the condensed phase was synthesized from [Ni(CO)4]+[WCA]− and benzene ([WCA]−=[F{Al(ORF)3}2]−; RF=C(CF3)3). Single crystal XRD reveals a remarkable asymmetrically η3,η6‐slipped sandwich structure. The magnetic properties of the [Ni(C6H6)2]+ cation were determined in solution and in the gas phase. Oxidation with the synergistic Ag+/0.5 l2 system led to the salt [Ni(C6H6)2]2+([WCA]−)2. All products were fully characterized by means of IR, Raman, NMR/EPR, single crystal and powder XRD.
Dual Activation of Molecular Oxygen and Surface Lattice Oxygen in Single Atom Cu1/TiO2 Catalyst for CO Oxidation
Authors: Fang Yarong , Zhang Qi , Zhang Huan , Li Xiaomin , Chen Wei , Xu Jue , Shen Huan , Yang Ji , Pan Chuanqi , Zhu Yuhua , Wang Jinlong , Luo Zhu , Wang Liming , Bai Xuedong , Song Fei , Zhang Lizhi , Guo Yanbing
Published: October 2022

The in‐depth mechanism on the simultaneous activation of O2 and surface lattice O2− on one active metallic site has not been elucidated yet. Herein, we report a strategy for the construction of abundant oxygen activation sites by rational design of Cu1/TiO2 single atom catalysts (SACs). The charge transfer between isolated Cu and TiO2 support generates abundant CuI and 2‐coordinated Olat sites in Cu1−O−Ti hybridization structure, which facilitates the chemisorption and activation of O2 molecules. Simultaneously, the Cu1−O−Ti induced TiO2 lattice distortion activate the adjacent surface lattice O2−, achieving the dual activation of O2 and surface lattice O2−. The Cu1−O−Ti active site switches the CO oxidation mechanism from Eley‐Rideal (80 °C) to Mars–van Krevelen route (200 °C) with the increase of reaction temperature. The dual activation of O2 and surface lattice O2− can by modulating the electron properties of SACs can boost the heterogeneous catalytic oxidation activity.
Light‐Assisted Metal–Air Batteries: Progress, Challenges, and Perspectives
Authors: Li Jiaxin , Zhang Kun , Wang Bingjie , Peng Huisheng
Published: October 2022

Metal–air batteries are considered one of the most promising next‐generation energy storage devices owing to their ultrahigh theoretical specific energy. However, sluggish cathode kinetics (O2and CO2reduction/evolution) result in large overpotentials and low round‐trip efficiencies which seriously hinder their practical applications. Utilizing light to drive slow cathode processes has increasingly becoming a promising solution to this issue. Considering the rapid development and emerging issues of this field, this Review summarizes the current understanding of light‐assisted metal–air batteries in terms of configurations and mechanisms, provides general design strategies and specific examples of photocathodes, systematically discusses the influence of light on batteries, and finally identifies existing gaps and future priorities for the development of practical light‐assisted metal–air batteries.
Natural rubber composites with antioxidant‐loaded activated calcium silicate for improved thermo‐oxidative aging resistance
Authors: Wang Weijiang , Zhang Yongfeng , Sun Junmin , Gong Yanbing , Zhang Yinmin
Published: October 2022

Green and low‐cost methods are required as alternatives to conventional approaches for impeding the thermo‐oxidative degradation of natural rubber (NR). Herein, to improve the dispersibility of N‐1,3‐dimethylbutyl‐N′‐phenyl‐p‐phenylenediamine (antioxidant 4020) and simplify the loading procedure, antioxidant 4020 was precipitated from acetone using activated calcium silicate (ACS), a byproduct of alumina extraction from fly ash, as a carrier. In the obtained antioxidant 4020‐loaded ACS (ACS‐4020) particles, which had a loading of 7.8%, the antioxidant was physisorbed on the surface of ACS with a uniform distribution. In composites with NR, ACS‐4020 was uniformly dispersed in the NR matrix via chemisorption. ACS‐4020/NR exhibited a faster vulcanization speed, better static mechanical properties, and greater thermal stability than the composite in which antioxidant 4020 was directly integrated (ACS/4020/NR). Changes in the tensile strength, elongation at break, hardness, and thermo‐oxidative aging degree of the composites at different aging times and temperatures showed that ACS‐4020/NR had enhanced resistance to thermo‐oxidative aging. Furthermore, the nitrogen‐containing compounds in ACS‐4020/NR were more stable and performed better against thermo‐oxidative aging. These findings can act as guidelines for the preparation of NR composites with superior thermo‐oxidative aging resistance.
Excellent toughness of rigid polyvinylchloride at low temperature improved by polycarbonate‐polydimethylsiloxane block copolymer
Authors: Wang Xiaofei , Jia Yu , Zhang Jun , Chen Hao
Published: October 2022

Rigid polyvinylchloride (PVC) is widely used in various fields, but its low impact strength at low temperature limits its deep application in some cold regions. This work utilizes polycarbonate‐polydimethylsiloxane block copolymer (PC‐b‐PDMS) to toughen PVC. PDMS segment has extremely low glass transition temperature (−126°C) and PC segment has a good compatibility with PVC, which proved by the Fourier transform infrared and dynamic mechanical thermal results. For verifying toughening effect of PC‐b‐PDMS, the impact behavior at 23°C, 0°C and −30°C of PVC/PC‐b‐PDMS blends is investigated. The impact strength of modified PVC increases from 2.09 to 95.00 kJ·m−2 at 23°C, and the significant brittle‐ductile transition occurs at 10 phr PC‐b‐PDMS. At −30°C, 25 phr PC‐b‐PDMS makes brittle‐ductile transition appear and impact strength increased by 17 times. According to impact‐fractured morphology, PDMS acts as stress concentrator in PVC/PC‐b‐PDMS and produces a lot of cavities, crazes, and shear bands to consume impact energy, exhibiting good toughening effect. Overall, the PC‐b‐PDMS with excellent toughening effect is a promising alternative to traditional toughening agents, showing great promising application prospects in low‐temperature toughening of the rigid PVC products.
Improvement of the dielectric properties of polyvinylidene fluoride/reduced graphene oxide composites via in‐situ ball milling assisted extensional flow field
Authors: Yin Xiaochun , Wei Kesai , Wei Weidong , He Guangjian , Feng Yanhong
Published: October 2022

In this work, a new melt blending method under the synergy of in‐situ ball milling (ISBM) and extensional flow field are reported. The corresponding equipment and processing mechanism of this new method are introduced in detail. The improvement in the dielectric properties of polyvinylidene fluoride (PVDF)/reduced graphene oxide (rGO)/hollow glass beads (HGBs) composites are experimentally investigated. Benefit from uniform dispersion and reduced shattered rate of HGBs, the effect of ISBM on the rGO is strengthened. The results of SEM, TEM, XRD, and Raman spectra show that HGBs promote the exfoliation and dispersion of rGO in PVDF matrix. The addition of HGBs not only increases the dielectric constant of the composites, but also reduces the dielectric loss. When the content of rGO is 3.5 wt%, the dielectric constant of PVDF/rGO/HGBs (PRH) composites reaches 132.7, which is 63.2% higher than that of PVDF/rGO (PR) composites without HGBs. Moreover, the dielectric loss ofPRHcomposites is 0.3, which is 23.3% lower than that ofPRcomposites. To sum up, the new processing method is a simple, green and efficient way to enhance the dielectric properties of PVDF/rGO composites by improving the exfoliation and dispersion of rGO in PVDF.
Comprehensive experimental investigations and theoretical predictions on the physical properties of natural rubber composites
Authors: Abhisha Vakkoottil Sivadasan , Sisanth Krishanagegham Sidharathan , Parameswaranpillai Jyotishkumar , Pulikkalparambil Harikrishnan , Siengchin Suchart , Thomas Sabu , Stephen Ranimol
Published: October 2022

Conducting elastomers are highly desirable in the present world because of their major applications in the electronic industry. Conductive carbon black (CCB) is a conventional reinforcing filler commonly used in elastomers to modify the mechanical as well as electrical properties. The present study focuses on the experimental and theoretical computation of filler reinforcement, dielectric, mechanical, dynamic mechanical, and surface morphology of natural rubber (NR)/CCB composites. Two step processing method is adopted to attain homogeneous dispersion of filler in the matrix: preparation of NR/CCB masterbatch through melt mixing using internal mixer followed by compounding in a two‐ roll mill. Improved DC conductivity in the order of 10−6was obtained at higher filler loading indicating the formation of a continuous conductive network in the matrix. Percolation threshold was computed using Power law equation and obtained a value of 0.154 vol%. Theoretical predictions of mechanical modulus and tensile strength were done using rule of mixtures, Einstein, Guth and Kerner models and Nicolais‐Narkis and Kuneri‐Geil models respectively. A remarkable change in tensile strength is observed for NR as a function of the weight percentage of CCB; it is increased to 26.3 ± 0.9 MPa at 20 phr CCB from 17.1 ± 0.9 MPa for NR.
Synthesis and characterization of novel Al(III)‐metallopolymer and its application as a non‐volatile resistive memristive material
Authors: Kumar Anil , Bawa Shubham , Bera Jayanta , Shankar Uday , Sahu Satyajit , Bandyopadhyay Anasuya
Published: October 2022

In this study, Al(III)‐metallopolymer is synthesized with our previously reported ligand to understand the difference in the interaction of the reported ligand with transition metal ions (Fe(II) and Cr(II) ions) and smaller cationic radius main group metal ion. Al(III)‐metallopolymer is thoroughly characterized by different analytical techniques to understand the structure–property relationship. Surface morphological analyses reveal the formation of long nano‐fiber strands on the respective substrates. This polymer has shown reversible redox behavior, which is ligand centric as no d‐orbitals are available on the central metal ion for the electron push‐pull mechanism. Al(III)‐metallopolymer is fluorescent active, and it is shown a reversible change in absorption spectrum on the application of the appropriate potential. This ligand‐based redox‐switching also generates a bistable state when a metal–insulator(thin film of polymer)‐metal sandwich device is probed in between ±1 V, and it is stable in the ambient condition to sustain several flip‐flop cycles without any degradation for 103 s as observed from the experimental data. This work enlightens a new metallopolymer with a low value of SET‐RESET voltage and a long retention time for the future memristive device, which can operate at very low voltage compared to conventional Si‐based memory chips.
Lost at starting line: Predicting maladaptation of university freshmen based on educational big data
Authors: Guo Teng , Bai Xiaomei , Zhen Shihao , Abid Shagufta , Xia Feng
Published: October 2022

The transition from secondary education to higher education could be challenging for most freshmen. For students who fail to adjust to university life smoothly, their status may worsen if the university cannot offer timely and proper guidance. Helping students adapt to university life is a long‐term goal for any academic institution. Therefore, understanding the nature of the maladaptation phenomenon and the early prediction of “at‐risk” students are crucial tasks that urgently need to be tackled effectively. This article aims to analyze the relevant factors that affect the maladaptation phenomenon and predict this phenomenon in advance. We develop a prediction framework (MAladaptive STudEnt pRediction, MASTER) for the early prediction of students with maladaptation. First, our framework uses the SMOTE (Synthetic Minority Oversampling Technique) algorithm to solve the data label imbalance issue. Moreover, a novel ensemble algorithm, priority forest, is proposed for outputting ranks instead of binary results, which enables us to perform proactive interventions in a prioritized manner where limited education resources are available. Experimental results on real‐world education datasets demonstrate that the MASTER framework outperforms other state‐of‐art methods.
Determination and tissue distribution comparisons of five xanthones after orally administering crude and processed gamboge
Authors: Pan Lingyun , Xu Min , Wang Nan , Jia Yiqun , Xiu Yanfeng
Published: October 2022

Caged polyprenylated xanthones are the main active ingredients isolated from the resin of Garcinia hanburyi, which has been reported to exhibit potential anticancer and anti‐inflammatory activities. This study aimed to develop sensitive and specific ultra‐performance liquid chromatography coupled with the triple quadrupole mass spectrometry method for investigating the tissue distribution of five xanthones in rats: β‐morellic acid, isogambogenic acid, gambogenic acid, R‐gambogic acid and S‐gambogic acid. All tissue samples were prepared using the liquid–liquid extraction method and separated on a C8 column with a gradient system. Detection was performed on a triple quadrupole mass spectrometer in multiple‐reaction monitoring using positive ionization. The method established in this assay was successfully applied to the tissue distribution study of the five selected xanthones after orally administering crude and processed gamboge in rat tissues. The results indicated that these five xanthones were distributed to rat tissues rapidly and could be detected in all of the selected tissues after oral administration. After processing, the contents of R‐gambogic acid and S‐gambogic acid in the gastrointestinal tract were significantly reduced. The findings of this study might be helpful in further understanding the processing mechanism of gamboge and providing references for its reasonable clinical application.
Ventricular arrhythmias following transcatheter pulmonary valve replacement with the harmony TPV25 device
Authors: Taylor Anne , Yang Jeffrey , Dubin Anne , Chubb Mark Henry , Motonaga Kara , Goodyer Will , Giacone Heather , Peng Lynn , Romfh Anitra , McElhinney Doff , Ceresnak Scott
Published: October 2022

Background

Transcatheter pulmonary valve replacement (TPVR) with the Harmony valve (Medtronic, Inc.) was recently approved to treat postoperative native outflow tract pulmonary regurgitation. While the 22 mm Harmony valve Early Feasibility Study demonstrated ventricular tachycardia (VT) in only 5% of patients, little is known about ventricular arrhythmias after TPVR with the larger 25 mm valve (TPV25).

Methods

A single center review was performed of patients with TPV25 implant from 2020 to 2021. Demographic, cardiac, procedural, and postimplant cardiac telemetry data were collected and compared between patients who did and did not have peri‐implant ventricular arrhythmia.

Results

Thirty patients underwent TPV25 at a median age of 30 years. On postimplant telemetry, VT events were documented in 12 patients (40%); 11 nonsustained VT (NSVT) (median 3 episodes per patient and 6 beats per episode, maximum 157 episodes) and 1 sustained VT (3%), with Torsades de Pointes secondary to a short coupled premature ventricular contraction (PVC). VT events were associated with annular valve positioning (p < 0.001) and increased postimplant PVC burden (p < 0.0001), but there was no association between VT and other demongraphic, historical, or procedural factors. The frequency of NSVT events fell from 3/h from 0 to 12 h postimplant to 0.5/hr from 12 to 24 h (p < 0.001).

Conclusion

VT occurred commonly (40%) in the first 24 h after TPV25 implant, with self‐limited NSVT in 11 of 12 patients and 1 patient with cardiac arrest secondary to Torsades de Pointes. VT only occurred with annular valve positioning. Larger, longer‐term studies are needed to determine risk factors for and natural history of post‐TPVR VT.
The Influence of Small Biomolecules, Salts and Buffers on the Molecular Recognition of Amide Naphthotube in Aqueous Solutions
Authors: Li Ming‐Shuang , Dong Yi‐Wei , Pang Xin‐Yu , Chai Hongxin , Wang Xiaoping , Jiang Wei
Published: October 2022

We found the binding affinities of amide naphthotube to neutral organic molecules in water are not influenced by most of small biomolecules, inorganic salts, and PBS and Tris buffers but are reduced in HEPES buffer through competitive binding. Nevertheless, salts do change the binding affinities of amide naphthotube to charged molecules through a screening effect.
Management of allergic rhinitis symptoms in the pharmacy Pocket guide 2022
Authors: Lourenço Olga , Cvetkovski Biljana , Kritikos Vicky , House Rachel , Scheire Sophie , Costa Elisio M , Fonseca João A. , Menditto Enrica , Bedbrook Anna , Bialek Slawomir , Briedis Vitalis , Boussery Koen , Canonica G. Walter , Haahtela Tari , Kuna Piotr , Mullol Joaquim , Orlando Valentina , Samolinski Boleslaw , Wallace Dana , Duggan Catherine , Paulino Ema , Pinto Gonçalo S. , Söderlund Lars‐Åke , Bousquet Jean , Bosnic‐Anticevich Sinthia
Published: October 2022

Background

Allergic rhinitis (AR) management requires a coordinated effort from healthcare providers and patients. Pharmacists are key members of these integrated care pathways resolving medication‐related problems, optimizing regimens, improving adherence and recommending therapies while establishing liaisons between patients and physicians.

Methods

Allergic Rhinitis and its Impact on Asthma (ARIA) first published a reference document on the pharmacist's role in allergic rhinitis management in 2004. Several guidelines were developed over the past 20 years improving the care of allergic rhinitis patients through an evidence‐based, integrated care approach.

Results

This ARIA/EAACI/FIP Position Paper is based on the latest ARIA in the Pharmacy guidelines and provides: (a) a structured approach to pharmacists identifying people with AR and/or allergic conjunctivitis as well as those at risk of poor disease control; (b) an evidence‐based clinical decision support tool for optimising the management of allergic rhinitis in the community pharmacy; and (c) a framework of referral to the physician.

Conclusion

This document is not intended to be a mandatory standard of care but is provided as a basis for pharmacists and their staff to develop relevant local standards of care for their patients, within their local practice environment. Pharmacy care varies between countries, and the guide should be adapted to the local situation.
Correlation of the combined symptom and medication score with quality of life, symptom severity and symptom control in allergic rhinoconjunctivitis
Authors: Palathumpattu Binoy , Pieper‐Fürst Ursula , Acikel Cengizhan , Sahin Hacer , Allekotte Silke , Singh Jaswinder , Hess Mark , Sager Angelika , Müller Thomas , Mösges Ralph
Published: October 2022

Background

The European Academy of Allergy and Clinical Immunology recommended the Combined Symptom and Medication Score (CSMS) as primary endpoint in clinical trials on allergen‐specific immunotherapy (AIT) in allergic rhinoconjunctivitis. Here, the correlation between the CSMS and the validated standardised Rhinoconjunctivitis Quality of Life Questionnaire (RQLQ(S)), Rhinitis Control Assessment Test (RCAT) and Visual Analogue Scale (VAS) was analysed.

Methods

Two prospective, multicentre, non‐interventional studies on tree pollen, grass pollen and house dust mite allergic patients were performed. The first study comprised 167 patients receiving AIT (AIT population), and the second included 56 patients treated with symptomatic medication only (control population). For up to two seasons (pollen)/exposure periods (house dust mites), participants documented their symptoms and medication intake in a CSMS diary, including VAS. In addition, the standardised RQLQ(S) and the RCAT were completed during study visits.

Results

Comparison between CSMS and RQLQ(S) revealed a positive correlation in the AIT population (r = 0.426) and in the control population (r = 0.569). For CSMS and RCAT, a negative correlation with r = −0.409 (AIT) and r = −0.547 (control) was shown. Positive correlation between CSMS and VAS was also demonstrated with r = 0.585 (AIT) and r = 0.563 (control).

Conclusion

These results support the assumption that the CSMS correlates with quality of life, symptom severity and symptom control on the one hand, while the moderate strength of correlations on the other hand mirrors distinctions of the CSMS compared to the assessments used here.
Management of anaplastic thyroid cancer and proposed treatment guidelines—A 5‐year case series study
Authors: Koda Kento , Katoh Mitsuhiko , Yasuhara Kazuo
Published: October 2022

Background

Anaplastic thyroid cancer is a rare and rapidly progressive cancer with an extremely poor prognosis. Besides surgical control, no clear treatment has been found, mainly due to the small population affected and high mortality rate.

Aims

To propose evidence‐based treatment guidelines based on a 5‐year retrospective study of patients with anaplastic thyroid cancer treated at our facility. There have been no clearly defined guidelines for treatment plan for undifferentiated thyroid cancer. Our paper presents a retrospective analysis on the treatment of patients with undifferentiated thyroid cancer at our hospital.

Methods and Results

We retrospectively evaluated the data of patients diagnosed with anaplastic thyroid cancer from April 2017 to March 2022. The total number of patients diagnosed and treated was seven. Two of these patients had operable cancer; five were inoperable and treated with lenvatinib or paclitaxel maintenance therapy. The median time from the first visit to death was 3.84 months, and six of the seven patients died before this study started. Three of them had Stage IVB cancer and died due to deterioration of their general condition, including lung metastasis; the other three had Stage IVC cancer and died of suffocation. The survivor had Stage IVB cancer, was treated by surgery combined with chemical radiotherapy, and survived >240 days.

Conclusion

Considering the above findings, personalized surgical treatment should be prioritized to prevent suffocation. Especially in Stage IVB cancer, local control can be achieved by surgical and anticancer drug treatment to avoid death from suffocation.
Anisotropic 1H STD‐NMR Spectroscopy: Exploration of Enantiomer‐Polypeptide Interactions in Chiral Oriented Environments
Authors: Gouilleux Boris , Moussallieh Francois‐Marie , Lesot Philippe
Published: October 2022

We explore and report for the first time the use of 1H saturation transfer difference NMR experiments (STD‐NMR) in weakly aligning chiral anisotropic media to identify the hydrogen sites of enantiomers of small chiral molecules interacting with the side‐chain of poly‐γ‐benzyl‐l‐glutamate (PBLG), a helically chiral polypeptide polymer. The first experimental results obtained on three model mono‐stereogenic compounds outcomes are highly promising and demonstrate the possibility to track down possible differences of spatial position of enantiomers at the vicinity of the polymer side‐chain. Anisotropic STD experiments appear to be well suited for rapid screening of chiral analytes that bind favorably to orienting polymeric systems, while providing new insights into the mechanism of enantio‐discrimination without resorting to the time‐consuming determination of molecular order parameters.
Chirality Transfer from an Innately Chiral Nanocrystal Core to a Nematic Liquid Crystal 2: Lyotropic Chromonic Liquid Crystals
Authors: Gonçalves Diana P. N. , Ogolla Timothy , Hegmann Torsten
Published: October 2022

The importance of and the difference between molecular versus structural core chirality of substances that form nanomaterials, and their ability to transmit and amplify their chirality to and within a surrounding condensed medium is yet to be exactly understood. Here we demonstrate that neat as well as disodium cromoglycate (DSCG) surface‐modified cellulose nanocrystals (CNCs) with both molecular and morphological core chirality can induce homochirality in racemic nematic lyotropic chromonic liquid crystal (rac‐N‐LCLC) tactoids. In comparison to the parent chiral organic building blocks, D‐glucose, endowed only with molecular chirality, both CNCs showed a superior chirality transfer ability. Here, particularly the structurally compatible DSCG‐modified CNCs prove to be highly effective since the surface DSCG moieties can insert into the DSCG stacks that constitute the racemic tactoids. Overall, this presents a highly efficient pathway for chiral induction in an aqueous medium and thus for understanding the origins of biological homochirality in a suitable experimental system.
The effect of sustainable business practices on profitability. Accounting for strategic disclosure
Authors: Cerciello Massimiliano , Busato Francesco , Taddeo Simone
Published: October 2022

This work tackles from an empirical perspective the widely debated relationship between sustainability in business practices and profitability, focusing on a sample of listed European firms. To measure the extent of sustainable practices at the firm level, the Comprehensive Environmental, Social, and Governance (ESG) score is proposed. The indicator, computed using the Mazziotta‐Pareto method, combines qualitative ratings on adherence to ESG standards with quantitative observations on the extent of data disclosure. Firms failing to pursue full disclosure are penalized. Focusing on the constituents of the Euro Stoxx 300 index, a dynamic panel model is implemented, where profitability is explained by the indicator. The results show that sustainability in business practices reduces profitability. These findings are in line with a strand of literature that highlights the role of strategic disclosure of ESG information on part of firms. Strategic disclosure occurs as a combination of greenwashing and social washing, with firms overstating the extent of their positive behaviors. The integration of sustainable practices within successful business models thus remains a relevant societal problem. The current EU policy framework is discussed in line with our findings.
Plant diversity and functional identity alter ant occurrence and activity in experimental grasslands
Authors: Achury Rafael , Clement Lars , Ebeling Anne , Meyer Sebastian , Voigt Winfried , Weisser Wolfgang W.
Published: October 2022

Increasing plant species richness has been shown to positively affect the diversity of a range of other organisms, both above‐ and belowground. Although ants have a multitude of interactions with other organisms through their role as predators and mutualists, ants are a taxon that has rarely been investigated in studies of biodiversity effects. Ants are known to respond to changes in microclimatic conditions such as temperature and humidity, and these microclimatic conditions are known to be affected by vegetation characteristics such as standing biomass, which in turn can be affected by plant diversity. We investigated the effects of plant species richness (1–60), the number of plant functional groups (FGs; 1–4), and the presence of particular FGs on the occurrence and activity of ants, in the context of a grassland biodiversity experiment. Ant abundance, estimated as the mean number of workers in pitfall traps, and the number of colonies within plots, but not ant species richness, were negatively affected by plant species richness, and also by the identity of plant FGs, particularly legumes (negative effects) and grasses (positive effects). Statistical approaches showed that these effects were largely mediated by biotic (aboveground plant biomass: negative effect) and abiotic variables (soil temperature: positive effect). Notably, ant activity, measured as the mean number of workers foraging on baits and with a disproportionate dominance of a single species (Lasius niger), showed a more complex pattern, where plant species richness and number of FGs interacted to explain differential attractiveness to different resources (represented by sugar and tuna baits), likely representing current nutritional requirements for ants. Similarly, increasing soil temperature increased the level of ant activity, indicating that abiotic factors might impose thermal constraints on ectotherms inhabiting temperate grasslands. Our results indicate that a higher number of plant species and higher plant biomass had a negative effect on ants in experimental grasslands. Understanding the responses of an ecologically important group such as ants will allow us to infer the effects that biodiversity loss could have on animal‐mediated ecosystem processes.
Management of severe hypercalcaemia secondary to primary hyperparathyroidism: The efficacy of saline hydration, furosemide, and zoledronic acid
Authors: Oueslati Ibtissem , Kardi Asma , Yazidi Meriem , Abidi Sahar , Chaker Fatma , Mellassi Seifeddine , Chihaoui Melika
Published: October 2022

Introduction

Severe hypercalcaemia is a life‐threatening condition that should be managed urgently. The aim of this study was to assess the efficacy of saline hydration, furosemide, and zoledronic acid in the management of severe hypercalcaemia secondary to primary hyperparathyroidism (PHPT).

Methods

We conducted a retrospective analysis of the management of 65 patients with severe hypercalcaemia (≥3 mmol/L) secondary to PHPT. The efficacy of each therapeutic agent was evaluated according to the variation in serum calcium level calculated as Δ calcium = initial calcium level – minimal calcium level reached after the administration of each agent.

Results

The mean age of patients was 56.4 ± 13.8 years. At baseline, the mean total serum calcium level was 3.42 ± 0.40 mmol/L. After normal saline hydration, calcium level decreased from 3.25 ± 0.21 to 2.98 ± 0.2 mmol/L (p < 10−3) in 3.1 ± 1.7 days. Normalization of calcium level did not occur in any patient. Furosemide was prescribed in 35 patients. It resulted in a serum calcium increase of 0.09 ± 0.21 mmol/L. Calcium levels did not reach the normal range in any patient. Forty‐five patients received intravenous zoledronic acid. The mean maximal reduction in serum calcium level was 0.57 ± 0.27 mmol/L (from 3.25 ± 0.26 mmol/L to 2.68 ± 0.22 mmol/L, p‐value <10−3). Normalization of calcium levels occurred in 27 patients (60%).

Conclusions

Our results show the absence of a significant additional effect of furosemide on calcium levels in patients with severe hypercalcaemia secondary to PHPT when compared with the effect of saline hydration alone. However, zoledronic acid was more potent. Thus, appropriate normal saline hydration with immediate intravenous bisphosphonates infusion should be considered in the management of severe hypercalcaemia in patients with PHPT.
Association of epicardial adipose tissue with proteomics, coronary flow reserve, cardiac structure and function, and quality of life in heart failure with preserved ejection fraction: insights from the PROMIS‐HFpEF study
Authors: Venkateshvaran Ashwin , Faxen Ulrika Ljung , Hage Camilla , Michaëlsson Erik , Svedlund Sara , Saraste Antti , Beussink‐Nelson Lauren , Fermer Maria Lagerstrom , Gan Li‐Ming , Tromp Jasper , Lam Carolyn S.P. , Shah Sanjiv J. , Lund Lars H.
Published: October 2022

Aim

Epicardial adipose tissue (EAT) may play a role in the pathophysiology of heart failure with preserved ejection fraction (HFpEF). We investigated associations of EAT with proteomics, coronary flow reserve (CFR), cardiac structure and function, and quality of life (QoL) in the prospective multinational PROMIS‐HFpEF cohort.

Methods and results

Epicardial adipose tissue was measured by echocardiography in 182 patients and defined as increased if ≥9 mm. Proteins were measured using high‐throughput proximity extension assays. Microvascular dysfunction was evaluated with Doppler‐based CFR, cardiac structural and functional indices with echocardiography and QoL by Kansas City Cardiomyopathy Questionnaire (KCCQ). Patients with increased EAT (n = 54; 30%) had higher body mass index (32 [28–40] vs. 27 [23–30] kg/m2; p < 0.001), lower N‐terminal pro‐B‐type natriuretic peptide (466 [193–1133] vs. 1120 [494–1990] pg/ml; p < 0.001), smaller indexed left ventricular (LV) end‐diastolic and left atrial (LA) volumes and tendency to lower KCCQ score. Non‐indexed LV/LA volumes did not differ between groups. When adjusted for body mass index, EAT remained associated with LV septal wall thickness (coefficient 1.02, 95% confidence interval [CI] 1.00–1.04; p = 0.018) and mitral E wave deceleration time (coefficient 1.03, 95% CI 1.01–1.05; p = 0.005). Increased EAT was associated with proteomic markers of adipose biology and inflammation, insulin resistance, endothelial dysfunction, and dyslipidaemia but not significantly with CFR.

Conclusion

Increased EAT was associated with cardiac structural alterations and proteins expressing adiposity, inflammation, lower insulin sensitivity and endothelial dysfunction related to HFpEF pathology, probably driven by general obesity. Potential local mechanical or paracrine effects mediated by EAT remain to be elucidated.
1,2‐Boronate Rearrangement: An Efficient Tool for the Opening, Functionalization and Formation of Strained Cycles
Authors: Blieck Rémi , de la Torre Aurélien
Published: October 2022

The 1,2‐metallate rearrangement occurring with boronate complexes is a strategy of choice for the synthesis of organoboron compounds, giving a direct access to highly functionalized molecules. Lately, significant progress has been made in the use of this reaction for the opening, the functionalization, and the formation of strained cycles. In this review, we will highlight these recent advances, focusing on cycloalkanes and oxygen‐ or nitrogen‐containing strained cycles.
Electrochemical Synthesis of β‐Fluoroselenides
Authors: Wu Shao‐Fen , Yu Yi , Yuan Yaofeng , Li Zhen , Ye Ke‐Yin
Published: October 2022

An environmentally friendly and efficient electrochemical fluoroselenation reaction of olefins has been developed. With the use of commercially available diaryl diselenides, triethylamine trihydrofluoride, and olefins, a diverse array of β‐fluoroselenides could be readily obtained. The reaction conditions are mild, tolerating a wide range of substrates in excellent yields and selectivity, and can be easily extended to gram‐scale preparation of vicinal fluoroselenides, too.
Coupling of N‐Tosylhydrazones with Tetrazoles: A Regioselective Synthesis of 2,5‐Disubstituted‐2H‐Tetrazoles
Authors: Kaszás Tímea , Szakács Bence , Juhász‐Tóth Éva , Cservenyák Ivett , Kovács Tamara , Juhász László , Somsák László , Tóth Marietta
Published: October 2022

Herein we describe the C−N coupling reaction of N‐tosylhydrazones with tetrazoles using thermic activation in the presence of different bases. The reactions proved to be highly regioselective to result in the corresponding 2,5‐disubstituted‐2H‐tetrazoles as main products and 1,5‐disubstituted‐1H‐tetrazoles as minor products. Owing to its mild conditions, the method enabled the use of a wide range of substrates.
Response profile in a rat model of exercise‐induced hypoalgesia is associated with duloxetine, pregabalin and diclofenac effect on constriction‐induced neuropathy
Authors: Khan Junad , Wang Qian , Korczeniewska Olga A. , McNeil Rotem , Ren Yanfang , Benoliel Rafael , Eliav Eli
Published: October 2022

Background

Exercise is a known trigger of the inhibitory pain modulation system and its analgesic effect is termed exercise‐induced hypoalgesia (EIH). Previous studies have demonstrated that rats with deficient analgesic response following exercise develop more significant hypersensitivity following nerve injury compared to rats with substantial analgesic response following exercise.

Objectives

A rat model of EIH as an indicator of the pain inhibitory system's efficiency was used to explore the association between EIH profiles and the effect of pharmacotherapy on rat's neuropathic pain.

Methods

EIH profiles were assessed by evaluating paw responses to mechanical stimuli before and after exercise on a rotating rod. Rats with a reduction of ≤33% in responses were classified as low EIH and those with ≥67% as high EIH. Low and high EIH rats underwent sciatic nerve chronic constriction injury (CCI). Paw responses to mechanical stimuli were measured at baseline, following CCI, and after treatment with diclofenac, duloxetine or pregabalin. In a different group of low and high EIH rats, EIH was measured before and following treatment with the same medications.

Results

Low EIH rats developed more significant hypersensitivity following CCI. Duloxetine and pregabalin successfully reduced hypersensitivity, although significantly more so in low EIH rats. Diclofenac had limited effects, and only on low EIH rats. Four days of duloxetine administration transformed low EIH rats' profiles to high EIH.

Conclusions

The findings of this study suggest that EIH profiles in rats can not only predict the development of hypersensitivity following injury but may also support targeted pharmacological treatment.

Significance

Exercise is a known trigger of the inhibitory pain modulation. Rats with deficient analgesic response following exercise develop more significant hypersensitivity following nerve injury. Pain modulation profiles in rats can also support targeted pharmacological treatment; rats with deficient analgesic response following exercise benefit more from treatment with duloxetine and gabapentin. Treatment with duloxetine can improve pain modulation profile.
Alterations in microglial morphology concentrate in the habitual sleeping period of the mouse
Authors: Steffens Sarah Katharina , Stenberg Tarja Helena , Wigren Henna‐Kaisa Margareta
Published: October 2022

In nocturnal animals, waking appears during the dark period while maximal non‐rapid‐eye‐movement sleep (NREMS) with electroencephalographic slow‐wave‐activity (SWA) takes place at the beginning of the light period. Vigilance states associate with variable levels of neuronal activity: waking with high‐frequency activity patterns while during NREMS, SWA influences neuronal activity in many brain areas. On a glial level, sleep deprivation modifies microglial morphology, but only few studies have investigated microglia through the physiological sleep–wake cycle. To quantify microglial morphology (territory, volume, ramification) throughout the 24 h light–dark cycle, we collected brain samples from inbred C57BL male mice (n = 51) every 3 h and applied a 3D‐reconstruction method for microglial cells on the acquired confocal microscopy images. As microglia express regional heterogeneity and are influenced by local neuronal activity, we chose to investigate three interconnected and functionally well‐characterized brain areas: the somatosensory cortex (SC), the dorsal hippocampus (HC), and the basal forebrain (BF). To temporally associate microglial morphology with vigilance stages, we performed a 24 h polysomnography in a separate group of animals (n = 6). In line with previous findings, microglia displayed de‐ramification in the 12 h light‐ and hyper‐ramification in the 12 h dark period. Notably, we found that the decrease in microglial features was most prominent within the early hours of the light period, co‐occurring with maximal sleep SWA. By the end of the light period, all features reached maximum levels and remained steadily elevated throughout the dark period with minor regional differences. We propose that vigilance‐stage specific neuronal activity, and SWA, could modify microglial morphology.
Biological age calculators to motivate lifestyle change: Environmental scan of online tools and evaluation of behaviour change techniques
Authors: Bonner Carissa , Batcup Carys , Fajardo Michael , Trevena Lyndal
Published: October 2022

Objective

“Biological age” calculators are widely used as a way of communicating health risk. This study evaluated the behaviour change techniques (BCTs) within such tools, underlying algorithm differences and suitability for people with varying health literacy.

Methods

Two authors entered terms into Google (eg, biological/heart age) and recorded the first 50 results. A standard patient profile was entered into eligible biological age calculators. Evaluation was based on Michie et al's BCT taxonomy and a readability calculator.

Results

From 4000 search results, 20 calculators were identified: 11 for cardiovascular age, 7 for general biological age and 2 for fitness age. The calculators gave variable results for the same 65‐year‐old profile: biological age ranged from younger to older (57‐87 years), while heart age was always older (69‐85+ years). Only 11/20 (55%) provided a reference explaining the underlying algorithm. The average reading level was Grade 10 (range 8.7‐12.4; SD 1.44). The most common BCTs were salience of consequences, information about health consequences and credible source.

Conclusions

Biological age tools have highly variable results, BCTs and readability.

Practice Implications

Developers are advised to use validated models, explain the result at the average Grade 8 reading level, and incorporate a clear call to action using evidence‐based behaviour change techniques.
Prediction and quantification of bioclogging depth limit and rate based on numerical simulation and experimental validation in managed aquifer recharge
Authors: Ye Xueyan , Ma Xiaofeng , Du Xinqiang , Cui Ruijuan , Wan Yuyu
Published: October 2022

Many microorganisms are naturally occurring in both recharging water and porous media, and microorganisms will grow and clog the pores of porous media. Porous media show different clogging depth and rate, which depends on the carbon source concentration. The bioclogging depth limit and rate under the effect of the nutrient concentration can be disentangled through column experiments and numerical simulation approaches. We use the TOUGHREACT method‐based on the monod equation of microbial growth to explore the process of microbial growth and permeability change, and correct with experimental results. The experimental results show the influence of nutrient concentration (glucose) on microbial growth and clogging of porous medium, and leads to clogging of porous medium. The clogging rate was defined as the rate of change of hydraulic conductivity with time for quantitative study of bioclogging in our study. Simulated results found that the clogging rate increases 0.035 and 0.00673 (m/d/min) respectively in the glucose concentration range of 0.045–0.6 and 0.6–5 mmol/L, simultaneously, the ultimate clogging depth decreases 18.2 and 1.7 mm respectively in the glucose concentration range of 0.045–0.6 and 0.6–5 mmol/L. The aim of this study was to evaluate the effects of nutrient concentrations on bioclogging and shed light on the establishment of nutrient concentration standards for recharge water during groundwater artificial recharge.
Suspended sediment load estimation in a severely eroded and data poor catchment
Authors: Bannatyne Laura J. , Foster Ian D.L. , Rowntree Kate M. , van der Waal Bennie W.
Published: October 2022

Soil erosion rates are high in many parts of Southern Africa, and are likely to rise because of climate change. Suspended sediment loads (SSL) and yields (SSY) are used to measure and benchmark soil erosion and/or sediment transport rates and determine trajectories of change. Some modelled SSY are available for Southern African catchments, but there is a dearth of contemporary observed data. Northern hemisphere approaches to suspended sediment measurement and the calculation of loads and yields are often unsuited to Southern Africa: locally appropriate methods are required. The manual, flood‐focused suspended sediment sampling programme that we implemented in the eroded and data‐scarce Tsitsa River catchment (Eastern Cape, South Africa) monitored four sub‐catchments from December 2015 to June 2019 at a sub‐daily timestep. We used a discharge‐weighted interpolation SSL estimator, investigating the effects of catchment area, hydrological regime, and sampling strategy on SSL, SSY, and variability, comparing our estimates with modelled results. Discharge increased with catchment area whilst flashiness (expressed by the Richards‐Baker Flashiness Index) mainly decreased, and was similar to that of North American catchments. The sampling frequency required to maintain precision was inversely related to catchment area. Mean annual SSL ranged from 18 121 t year−1 in the 204 km2 Gqukunqa River catchment to 984 267 t year−1 in the 1452 km2 Inxu River catchment. Mean annual SSY ranged from 61 t km2 year−1 in the 432 km2 Pot River catchment to 678 t km2 year−1 in the Inxu River catchment. Data stratification to limit sampling to wet‐season flows did not significantly impact SSL estimates, but year‐round sampling is required to maintain the citizen‐technician sampling network through regular income. Modelled SSY estimates were higher than our measured estimates. Our approach to suspended sediment sampling, load and yield estimation is robust, sustainable, precise, and can be adapted for similar, remote catchments.