bluuebunny/crossref_metadata_2025 huggingface dataset:
Within-person reproducibility of proteoforms related to inflammation and renal dysfunction
Authors: Gao Jie , McCann Adrian , Laupsa-Borge Johnny , Nygård Ottar , Ueland Per Magne , Meyer Klaus
Published: May 2022

Protein biomarkers and microheterogeneity have attracted increasing attention in epidemiological and clinical research. Knowledge of within-person reproducibility over time is paramount to determine whether a single measurement accurately reflects an individual’s long-term exposure. Yet, research investigating within-person reproducibility for proteoforms is limited. We investigated the reproducibility of the inflammatory markers C-reactive protein (CRP), serum amyloid A (SAA), and calprotectin (S100A8/9), and the renal function marker cystatin C (CnC) using a novel immuno-MALDI-TOF MS assay. Reproducibility, expressed as intraclass correlation coefficient (ICC), was calculated for 16 proteoforms using plasma samples of the Western Norway B Vitamin Intervention Trial (WENBIT) cohort collected 1–3 y apart from 295 stable angina pectoris (SAP) patients and 16 weeks apart from 38 subjects of the Intervention with Omega Fatty Acids in High-risk Patients with Hypertriglyceridemic Waist (OMEGA) trial with abdominal obesity but no other documented co-morbidities. ICCs for inflammatory markers were lower in WENBIT (CRP: 0.51, SAAt: 0.38, S100At: 0.31) compared to OMEGA subjects (CRP: 0.71, SAAt: 0.73, S100At: 0.48), while comparable for CnCt (WENBIT: 0.69, OMEGA: 0.67). Excluding SAP patients with elevated inflammation (CRP > 10 µg/ml) increased the ICC of SAAt to 0.55. Reduction of the time interval from 3 to 1 y in WENBIT group increased ICCs for all proteoforms. With a few exceptions ICCs did not differ between proteoforms of the same biomarker. ICCs were highest in OMEGA subjects with fair-to-good reproducibility for all markers. Reproducibility of SAA and S100A8/9 proteoforms in the WENBIT cohort was related to inflammation. This work will inform future clinical and epidemiological research which relies on single time point biomarker assessment to investigate inflammation and renal function.
Detachment mechanism and reduced evaporation of an evaporative NaCl salt crust
Authors: Licsandru G. , Noiriel C. , Geoffroy S. , Abou-Chakra A. , Duru P. , Prat M.
Published: May 2022

Salt crusts forming at the surface of a porous medium are commonly observed in nature as well as on building materials and pieces of our cultural heritage where they represent a risk for the supporting substrate integrity. Previous research indicates that the salt crust can detach from the porous substrate and severely reduces the evaporation. However, the current understanding of the detachment mechanisms and the reduced evaporation is very limited. In the present experiment, we evidence dissolution–precipitation processes as key mechanisms in the detachment process. We also show that the crust remains wet and the observed reduced evaporation is explained by the formation of tiny pores in the nanometer range and the Kelvin effect. The resulting crust permeability is very low. Combined with previous results, this shows that the crust permeability is highly dependent on the crust formation conditions. More generally, salt structures in a water vapor concentration gradient are shown to be self-propelled systems capable to carry small objects such as, for instance, soil particles. Our study has significance for understanding the impact of salt crusts on evaporation and the associated important phenomena, such as soil salinization and porous material degradation inherent to salt crystallization.
The interaction between endogenous GABA, functional connectivity, and behavioral flexibility is critically altered with advanced age
Authors: Heise Kirstin-Friederike , Rueda-Delgado Laura , Chalavi Sima , King Bradley R. , Monteiro Thiago Santos , Edden Richard A. E. , Mantini Dante , Swinnen Stephan P.
Published: May 2022

The flexible adjustment of ongoing behavior challenges the nervous system’s dynamic control mechanisms and has shown to be specifically susceptible to age-related decline. Previous work links endogenous gamma-aminobutyric acid (GABA) with behavioral efficiency across perceptual and cognitive domains, with potentially the strongest impact on those behaviors that require a high level of dynamic control. Our analysis integrated behavior and modulation of interhemispheric phase-based connectivity during dynamic motor-state transitions with endogenous GABA concentration in adult human volunteers. We provide converging evidence for age-related differences in the preferred state of endogenous GABA concentration for more flexible behavior. We suggest that the increased interhemispheric connectivity observed in the older participants represents a compensatory neural mechanism caused by phase-entrainment in homotopic motor cortices. This mechanism appears to be most relevant in the presence of a less optimal tuning of the inhibitory tone as observed during healthy aging to uphold the required flexibility of behavioral action. Future work needs to validate the relevance of this interplay between neural connectivity and GABAergic inhibition for other domains of flexible human behavior.
Improving the environmental hazard scores metric for solvent mixtures containing carbon dioxide for chromatographic separations
Authors: Gray Rebekah , Fitch Brian , Aurigemma Christine , Hicks Michael B. , Beres Martin , Farrell William , Olesik Susan V.
Published: May 2022

Quantifying the greenness of chromatographic separations using CO2 in the mobile phase.
Improving the curing and flame retardancy of epoxy resin composites by multifunctional Si-containing cyclophosphazene derivatives
Authors: Fan Wang-Xi , Li Zefang , Yang Zhou , Ou Jun-Fei , Xiang Meng , Qin Zhong-Li
Published: May 2022

Novel star-like molecules containing P, N and Si with dual functions of flame retardance and curing promotion were synthesized through the nucleophilic substitution reaction of hexachlorocyclotriphosphazene and 3-aminopropyltrimethoxysilane.
Green aspects of photocatalysts during corona pandemic: a promising role for the deactivation of COVID-19 virus
Authors: Kumar Abhinandan , Soni Vatika , Singh Pardeep , Parwaz Khan Aftab Aslam , Nazim Mohammed , Mohapatra Satyabrata , Saini Vipin , Raizada Pankaj , Hussain Chaudhery Mustansar , Shaban Mohamed , Marwani Hadi M. , Asiri Abdullah M.
Published: May 2022

Photocatalysts are green, eco-friendly, clean and sustainable and could be a solution to combat COVID-19 because of potential features of various types of metal oxides against viral inactivation via the generation of reactive oxidative species.
Intramolecular chalcogen bonding to tune the molecular conformation of helical building blocks for a supramolecular helix
Authors: Weng Peimin , Yan Xiaosheng , Cao Jinlian , Li Zhao , Jiang Yun-Bao
Published: May 2022

The 2,5-thiophenediamide motif that contains two intramolecular S⋯OC chalcogen bonds was taken to maintaincis-conformation of β-turn structured helical azapeptide that is good to form a supramolecular helixviaintermolecular halogen bonding.
A thiol-activated fluorogenic probe for detection of a target protein
Authors: Li Hui , Lee Chang-Hee , Shin Injae
Published: May 2022

A novel fluorogenic probe for facile and efficient detection of a target protein that binds to a bioactive small molecule was developed.
The universal defect cluster architecture of fluorite-type nanostructured crystals
Authors: Sulyanova Elena A. , Sobolev Boris P.
Published: May 2022

A universal cluster model applicable to the most common nonstoichiometry in inorganic fluorides with the CaF2 structure.
A detailed assessment on the interaction of sodium alginate with a surface-active ionic liquid and a conventional surfactant: a multitechnique approach
Authors: Das Sourav , Ghosh Soumen
Published: May 2022

C → Concentration of surfactant, cac → critical aggregation concentration, Cs → polymer saturation concentration, → extended critical micelle concentration.
FTIR study of the surface-ligand exchange reaction with glutathione on biocompatible rod-shaped CdSe/CdS semiconductor nanocrystals
Authors: Kuroi Kunisato , Yamada Masaki , Kawamura Ibuki , Jung Minkyo , Pack Chan-Gi , Fujii Fumihiko
Published: May 2022

CdS/CdSe nanorods are expected to be unique fluorescent labels. For solubilizing into water, their surface ligand has been exchanged to glutathione (GSH). This ligand exchange process was examined by FTIR, revealing the influence of the coverage ratio of GSH.
Assessment of milk protein digestion kinetics: effects of denaturation by heat and protein type used
Authors: Abrahamse Evan , Thomassen Gabriël G. M. , Renes Ingrid B. , Wierenga Peter A. , Hettinga Kasper A.
Published: May 2022

Both whey protein denaturation and β-casein inclusion increased intact protein loss without affecting absorbable product release during in vitro digestion.
A highly efficient and stable solar energy-driven device using lignocellulosic biomass Juncus effusus for the recovery of ethanol–water mixture
Authors: Fu Zhuan , Zhou Sijie , Xia Liangjun , Zhang Chunhua , Zhu Na , Gong Junyao , Wang Xiaofeng , Liu Xin , Li Li , Xu Weilin
Published: May 2022

A highly efficient and stable solar energy-driven device was fabricated using lignocellulosic biomass Juncus effusus for the recovery of ethanol–water mixture.
Efficient utilization of carbon to produce aromatic valencene in Saccharomyces cerevisiae using mannitol as the substrate
Authors: Zhu Chaoyi , You Xia , Wu Tao , Li Wen , Chen Hefeng , Cha Yaping , Zhuo Min , Chen Bo , Li Shuang
Published: May 2022

An efficient production platform for converting mannitol to valencene was established in the evolved S. cerevisiae cell factory.
Free-standing Co/Zn sulfide supported on Cu-foam for efficient overall water splitting
Authors: Pan Haoran , Wang Yue , Lu Zhenjie , Huang Xinning , Chen Xingxing
Published: May 2022

A bifunctional self-supported electrode is prepared for both electrochemical water oxidation and reduction.
AuPd nanoparticle-decorated ultrathin Bi2TiO4F2 sheets for photocatalytic methane oxidation
Authors: Zhao Yibo , Luo Jieyue , Hu Huijie , Shen Jinni , Zhang Zizhong , Yuan Rusheng , Huang Haowei , Long Jinlin
Published: May 2022

Ultrathin Bi2TiO4F2 with highly dispersed AuPd alloy nanoparticles as cocatalysts enables efficient photocatalytic conversion of methane to methanol with 93.5% selectivity at ambient temperature.
Promoting effect of Ru-doped Mn/TiO2 catalysts for catalytic oxidation of chlorobenzene
Authors: Hu Die , Li Weiquan , Yin Ke , Huang Bichun
Published: May 2022

The Ru–Mn/TiO2 catalysts presented excellent catalytic activity due to the interaction between Ru and Mn species.
Anisotropic dye adsorption using templated smectic nanoporous polymer films: effects of pore size and pore charges on the adsorption
Authors: Zeng Hongju , Liang Ting , Zhang Huiyao , Wang Yanlin , Wen Jingya , Yu Hairong , Cheng Changjing
Published: May 2022

Nanoporous polymer films with anisotropic, charge- and size-selective adsorption toward dyes have been developed using a templating method.
Folding of aromatic polyamides into a rare intrachain β-sheet type structure and further reinforcement of the secondary structure through host–guest interactions
Authors: Samanta Subhendu , Mallick Dibyendu , Roy Raj Kumar
Published: May 2022

We report the design, synthesis, and folding of aromatic polyamides into an intrachain β-sheet-like structure. Additionally, the effect of a guest molecule in stabilizing the β-sheet structure has also been demonstrated here.
Recent progress in the applications of silica-based nanoparticles
Authors: Nayl A. A. , Abd-Elhamid A. I. , Aly Ashraf A. , Bräse Stefan
Published: May 2022

Functionalized silica nanoparticles (SiO2 NPs) have attracted great attention due to their promising distinctive, versatile, and privileged physiochemical characteristics.
Conduction band-edge valley splitting in two-dimensional ferroelectric AgBiP2S6 by magnetic doping: towards electron valley-polarized transport
Authors: Zhang Dongxue , Zhou Baozeng
Published: May 2022

The anomalous valley Hall effect in two-dimensional ferroelectric AgBiP2S6 by magnetic doping offering a possible avenue to realize data storage using valley splitting.
Correction: Efficient hydroxylation of benzene to phenol by H2O2 using Ni-doped CuWO4 on carbon nitride as a catalyst under solar irradiation and its structure–activity correlation
Authors: Basyach Purashri , Guha Ankur Kanti , Borthakur Sukanya , Kalita Lisamoni , Chetia Pubali , Sonowal Karanika , Saikia Lakshi
Published: May 2022

Correction for ‘Efficient hydroxylation of benzene to phenol by H2O2 using Ni-doped CuWO4 on carbon nitride as a catalyst under solar irradiation and its structure–activity correlation’ by Purashri Basyach et al., J. Mater. Chem. A, 2020, 8, 12774–12789, https://doi.org/10.1039/D0TA03729J.
Host gene effects on gut microbiota in type 1 diabetes
Authors: Guo Keyu , Huang Juan , Zhou Zhiguang
Published: May 2022

Type 1 diabetes (T1D) is an organ-specific autoimmune disease characterized by progressive pancreatic β-cell loss. Both a predisposing genetic background, that may encompass mutations in several genes, as well as exposure to environmental factors can affect the progression of autoimmune responses to multiple pancreatic islet autoantigens. Many genetic variants that increase the risk of T1D are found in immunity genes involved in sensing and responding to microorganisms. Although increasing evidence indicates that the gut microbiome composition may promote or prevent T1D development, little is known about the link between gut microbiota and T1D susceptibility genes in patients with T1D. Recent studies in the inbred non-obese diabetic (NOD) mouse, a widely used model of T1D, have suggested that many genetic loci can influence gut microbiome composition to modulate islet autoimmunity. This review summarizes evidence that examines the effect of host genes on gut microbiota diversity and function during T1D development. Knowledge of the host gene-gut microbiota interactions at play during T1D progression may help us identify new diagnostic and prognostic tools and help also design effective strategies for disease treatment.
Protein–protein and protein–lipid interactions of pore-forming BCL-2 family proteins in apoptosis initiation
Authors: Sekar Giridhar , Ojoawo Adedolapo , Moldoveanu Tudor
Published: May 2022

Apoptosis is a common cell death program that is important in human health and disease. Signaling in apoptosis is largely driven through protein–protein interactions. The BCL-2 family proteins function in protein–protein interactions as key regulators of mitochondrial poration, the process that initiates apoptosis through the release of cytochrome c, which activates the apoptotic caspase cascade leading to cellular demolition. The BCL-2 pore-forming proteins BAK and BAX are the key executors of mitochondrial poration. We review the state of knowledge of protein–protein and protein–lipid interactions governing the apoptotic function of BAK and BAX, as determined through X-ray crystallography and NMR spectroscopy studies. BAK and BAX are dormant, globular α-helical proteins that participate in protein–protein interactions with other pro-death BCL-2 family proteins, transforming them into active, partially unfolded proteins that dimerize and associate with and permeabilize mitochondrial membranes. We compare the protein–protein interactions observed in high-resolution structures with those derived in silico by AlphaFold, making predictions based on combining experimental and in silico approaches to delineate the structural basis for novel protein–protein interaction complexes of BCL-2 family proteins.
Genesen heißt nicht gesund – Chronisches Fatigue-Syndrom nach Covid-19-Erkrankung
Authors: Laquai Sophia
Published: May 2022

Immer mehr jüngere Menschen berichten auch nach milden Covid-19-Verläufen von anhaltenden Symptomen wie Fatigue, kognitiven Störungen und Schmerzen, die teils Wochen bis Monate andauern. Bei etwa der Hälfte davon sehen Forschende der Berliner Charité die Kriterien eines Chronischen Fatigue-Syndroms erfüllt, wie es auch nach anderen Viruserkrankungen auftritt.
Stationsäquivalente Behandlung für Kinder, Jugendliche und Familien
Authors: Schepker Renate , Boege Isabel
Published: May 2022

Bei belegter Wirksamkeit für alle psychischen Störungen, Vorteilen für die Elternarbeit und Adoleszente ist die Verbreitung der stationsäquivalenten Behandlung (StäB) in der Kinder- und Jugendpsychiatrie u. a. durch Finanzierungs- und Kodierungsfragen sowie Hemmnisse der Realisierung von Kooperationen noch begrenzt. Diese Arbeit fasst praktische Erfahrungen in der Zusammenarbeit verschiedener Leistungserbringer sowie die aktuellen sozialpolitischen Fragen um StäB einschließlich der regulatorischen Desiderata zusammen.
Metastatische pulmonale Kalzifikation – eine selten diagnostizierte Entität in der differenzialdiagnostischen Abklärung interstitieller Lungenerkrankungen
Authors: Groß Torsten , Wodziwodski A. , Simka Sebastian
Published: May 2022

Eine 70-jährige Patientin, die vor ca. 20 Jahren aufgrund einer Anti-Neutrophile cytoplasmatische Antikörper (ANCA)-positiven, rapid-progressiven Glomerulonephritis eine Nierentransplantation erhielt, wurde uns zur Abklärung einer fibrosierenden interstitiellen Lungenerkrankung mit Computertomografie (CT)-radiologischen Veränderungen im Sinne (i. S.) einer akuten Alveolitis zugewiesen. Sie beklagte eine bereits seit Längerem bestehende Belastungsdyspnoe. Lungenfunktionell zeigte sich eine leichte Restriktion (FVC 78% d. Soll), ausgeprägt eine schwere Diffusionsstörung (DLCO 41% d. Soll). Sowohl anamnestisch als auch serologisch ergab sich kein Hinweis auf eine exogen-allergische Alveolitis. In den bronchoskopisch gewonnenen Proben wurden initial Veränderungen i. S. einer nichtspezifischen interstitiellen Lungenerkrankung vom fibrotischen Typ, z. B. zu einer Reaktion im Rahmen der immunsuppressiven Therapie passend, gefunden. Mikrobiologisch wurde in der bronchoalveolären Lavage (BAL)-Flüssigkeit Herpes-simplex-Virus mittels Polymerase-Kettenreaktion (PCR) nachgewiesen. Unter der Arbeitsdiagnose einer Herpes-Pneumonitis wurde eine antivirale Therapie durchgeführt. Die immunsuppressive Therapie wurde fortgesetzt. In einer Kontrolle konnte der Herpesvirus nicht mehr nachgewiesen werden. Nach initialer subjektiver Verbesserung der Luftnot und wiederholter Kontroll-CT-Bildgebung stellten sich die initialen radiologischen Veränderung nach ca. einem Jahr als unverändert dar und die Belastungsluftnot als persistierend. In der neuerlichen transbronchialen Lungenbiopsie konnte eine metastatische pulmonale Kalzifikation nachgewiesen werden. Eine Aktivität der Erkrankung konnte erfreulicherweise ausgeschlossen werden.

Fazit In der differenzialdiagnostischen Abklärung interstitieller Lungenerkrankungen muss v. a. bei Patient*innen mit vulnerablem Kalzium-Phosphat-Haushalt und Säure-Basen-Gleichgewicht, wie es z. B. im Rahmen chronischer Nierenerkrankungen auftritt, auch an die Möglichkeit einer metastatischen pulmonalen Kalzifikation (MPC) gedacht werden, v. a. wenn das radiologische Bild persistierende, oberlappenbetonte Milchglasveränderungen aufzeigt. Die Diagnosestellung erfordert hierbei eine multidisziplinäre Zusammenarbeit zwischen Pneumologen, Radiologen und Pathologen.
Kriterien für die Umsetzung transitionspsychiatrischer Angebote (Transitionskriterien)
Authors: Driessen Martin , Romanos Marcel , Pollmächer Thomas , Kölch Michael
Published: May 2022

Der Übergang vom Jugend- in das Erwachsenenalter ist im Kontext psychischer Störungen mit besonderen Herausforderungen für die Betroffenen verbunden und führt häufig zu Behandlungsabbrüchen mit dem Risiko schwerer und chronischer Krankheitsverläufe. Während die fachlich-wissenschaftliche Bearbeitung dieses Themas seit mehr als einer Dekade differenziert erfolgt, fehlen systematische Angebote in der Regelversorgung. Nachvollziehbare, qualitative Kriterien bzw. Anforderungen besonders an die stationäre Transitionsangebote können die Etablierung erleichtern. Die Fachgesellschaften DGPPN und DGKJP haben daher Transitionskriterien entwickelt, die die Zielgruppe, die zu fordernde Strukturqualität sowie Finanzierungsaspekte für den stationären Bereich und Kriterien für die ambulante Transitionsbehandlung beschreiben.
Können die Maßnahmen der komplexen Modellintervention
CoCare die Zusammenarbeit von Pflegekräften und
Ärzt*innen in Pflegeheimen verbessern? Ergebnisse einer
kontrollierten Studie mit Prä-Post-Messung
Authors: Kaiser Vanessa , Reese Christina , Sehlbrede Matthias , Brühmann Boris A. , Farin-Glattacker Erik
Published: May 2022

Ziel der Studie Das Modellprojekt „CoCare - Erweiterte
koordinierte ärztliche Pflegeheimversorgung“ (Förderung:
Innovationsfonds des G-BA) verfolgte das Ziel, die haus- und
fachärztliche Versorgung in Pflegeheimen durch die Einführung
einer neuen Versorgungsform zu verbessern. In den Projektheimen wurde eine Reihe
von Maßnahmen umgesetzt, die unter anderem die Zusammenarbeit von
Pflegeheimpersonal und betreuenden Ärzt*innen fördern
sollten. Die vorliegenden Befragungsergebnisse wurden im Rahmen der summativen
Evaluation des Projekts erhoben.

Methodik In der Interventionsgruppe (IG) wurde vor Implementation der
CoCare-Intervention (T0) die erste Befragung durchgeführt, 12 Monate
nach Beginn der Implementation die zweite (T1). In der Kontrollgruppe (KG), in
der die Bewohner*innen wie üblich behandelt wurden
(„usual care“), fand eine Befragung statt. Geprüft
wurde, ob sich die Bewertung der interprofessionellen Zusammenarbeit in der IG
von T0 zu T1 verbesserte, und inwiefern sich in der IG nach der Intervention
Vorteile gegenüber der KG ergaben. Außerdem analysierten wir, ob
die Beteiligten der IG eine Verbesserung der Versorgung von T0 zu T1 wahrnehmen
konnten und den Nutzen der Intervention positiv beurteilten.

Ergebnisse Ausgewertet wurden Befragungsergebnisse von 678
Pflegekräften und 158 Ärzt*innen (N=836). In der
IG beurteilten Pflegekräfte die interprofessionelle Zusammenarbeit zu T1
signifikant besser als zu T0, bei Ärzt*innen konnten nur
teilweise signifikante Verbesserungen festgestellt werden. Zudem bewerteten
Pflegekräfte der IG interprofessionelle Zusammenarbeit zu T1 signifikant
besser als die KG. Bei Ärzt*innen ergaben sich
diesbezüglich keine signifikanten Unterschiede. Beide Berufsgruppen der
IG nahmen signifikante Verbesserungen in der Versorgung wahr und auch der Nutzen
der Intervention wurde signifikant positiv bewertet. Als besonders vorteilhaft
erlebten die Befragten übereinstimmend die regelmäßigen
wöchentlichen Visiten und die bessere Erreichbarkeit fester
Ansprechpersonen.

Schlussfolgerung Die Implementierung der
„CoCare“-Maßnahmen kann die Bewertung der Versorgung und
interprofessionellen Zusammenarbeit von Pflegekräften und
Ärzt*innen verbessern. Die Beteiligung an der Befragung war
jedoch – insbesondere bei den Ärzt*innen - eher gering,
wodurch sich die statistische Teststärke reduzierte.
Clinical Outcomes after Clozapine Discontinuation in Patients with
Schizophrenia: A Systematic Review
Authors: Miura Gentaro , Tanaka Kouhei , Kemuriyama Takashi , Misawa Fuminari , Uchida Hiroyuki , Mimura Masaru , Takeuchi Hiroyoshi
Published: May 2022

Introduction Clozapine is the gold standard of treatment for patients with
treatment-resistant schizophrenia. However, approximately 60% of those
patients do not respond to clozapine; moreover, clinical outcomes after
clozapine discontinuation are unclear so far. Therefore, we conducted a
systematic review to clarify the outcomes after clozapine discontinuation.

Methods A systematic literature search was conducted, using MEDLINE and
Embase with the following keywords: (clozapine AND
(cessation* OR cease* OR
withdraw* OR discontinu* OR
halt* OR stop* OR switch*) AND
(schizophreni* OR schizoaffective)).

Results A total of 28 clinical studies from 27 articles were identified
and included in this systematic review. Three randomized controlled trials
reported worsening of psychiatric symptoms. In 10 single-arm studies, the
results of worsening and improving psychiatric symptoms were inconsistent. In
one large retrospective cohort study, clozapine rechallenge, olanzapine, and
antipsychotic polypharmacy had lower rehospitalization rates compared to no
medication after clozapine discontinuation. In the other 14 retrospective
studies, the vast majority showed worsening of clinical status after clozapine
discontinuation. Among five studies on clinical outcomes after clozapine
rechallenge, four reported improvements in clinical status in more than half of
patients who rechallenged clozapine. The remaining study reported that the
clozapine discontinuation-rechallenge group had a worse remission assessment
score than the clozapine discontinuation-no rechallenge group.

Discussion Clinical outcomes generally worsen after clozapine
discontinuation. Clozapine rechallenge and olanzapine may be considered
following clozapine discontinuation. The outcomes after clozapine
discontinuation in clozapine non-responders remain inconclusive; therefore,
well-designed studies are warranted.
Synthesis of Axially Chiral Cationic Benzo[c]phenanthridinium Derivatives
Authors: Agudelo Brian Castro , Rigoulet Florian , Rodriguez Jean , Coquerel Yoann , Giorgi Michel , Sayah Babak
Published: May 2022

Cationic polycyclic aromatic compounds containing one or more nitrogen atom(s), also known as azonia polycyclic aromatic compounds, form a valuable class of molecules because of their fluorescent and/or medicinal properties. N-Arylated hydroisoquinoline derivatives were synthesized through an aryne aza-Diels–Alder cycloaddition/N-arylation sequence. A subsequent two-electron oxidation allowed the synthesis of some axially chiral cationic benzo[c]phenanthridinium derivatives. The structural and optical properties of some of these molecules were determined. Their chirality was evidenced experimentally by single-crystal X-ray diffraction and 1H NMR spectroscopy, and their conformational behavior was examined by computational DFT methods.
Recent Advances in C–F Bond Activation of Acyl Fluorides Directed toward Catalytic Transformation by Transition Metals, N-Heterocyclic Carbenes, or Phosphines
Authors: Nishihara Yasushi , Tian Tian , Chen Qiang , Li Zhiping
Published: May 2022

Numerous studies on the activation of carbon–fluorine bonds have been reported in recent years. For example, acyl fluorides have been utilized as versatile reagents for acylation, arylation, and even fluorination. In this review, we focus on acyl fluorides as compounds with carbon–fluorine bonds, and highlight recent advances in strategies for the activation of their C–F bonds via transition-metal catalysis, N-heterocyclic carbene (NHCs) catalysis, organophosphine catalysis, and classical nucleophilic substitution reactions.

1 Introduction

2 Transition-Metal-Mediated C–F Bond Activation

2.1 Acylation (Carbonyl-Retentive) Coupling Reactions

2.2 Decarbonylative Reactions

2.3 C–F Bond Activation by Other Transition Metals

3 C–F Bond Activation by N-Heterocyclic Carbenes (NHCs)

3.1 NHC-Catalyzed Cycloaddition of Acyl Fluorides

3.2 NHC-Catalyzed Radical Functionalization of Acyl Fluorides

3.3 NHC-Catalyzed Nucleophilic Fluorination of (Hetero)aromatics

4 C–F Bond Activation by Phosphines

4.1 Phosphine-Catalyzed Direct Activation of the C–F Bond of Acyl Fluorides

4.2 Phosphine-Catalyzed Indirect Activation of the C–F Bond of Acyl Fluorides

5 C–F Bond Activation by Classical Nucleophilic Substitution

6 Miscellaneous Examples

7 Summary and Perspective
The Challenge of Severe Acute Malnutrition in Inborn Errors of Metabolism: Does Medical Food Alone Suffice?
Authors: Singanamalla Bhanudeep , Paria Pradip , Suthar Renu , Saini Arushi G. , Attri Savita V.
Published: May 2022

Glutaric aciduria type 1 (GA-1) is a treatable inborn error of metabolism caused by glutaryl-CoA dehydrogenase deficiency. This enzyme deficiency leads to accumulation of glutaric acid, 3-hydroxy glutaric acid, and glutaconic acid which are potentially neurotoxic. Patients with GA-1 have characteristic clinical and neuroimaging features that help us to clinch the diagnosis. Early diagnosis by newborn screening helps us to prevent the motor problems such as dystonia and spasticity. Treatment includes low-protein diet along with carnitine supplementation which may lead to deficiency of essential amino acids and hence malnutrition. Managing malnutrition in a child with inborn errors of metabolism (IEM) is challenging. Here, we describe a patient, a case of GA-1 on medical food, presenting with severe acute malnutrition, who improved with a combination of medical and home-made foods along with lysine-free, tryptophan-reduced amino acid supplements.
Morphological Analysis of Hip Joint of Patients Suffering From Recurrent Patella Dislocation
Authors: Fan Chongyi , Niu Yingzhen , Li Ming , Feng Xunkai , Wang Fei
Published: May 2022

The purpose was to investigate morphological changes of the hip joint in patients with recurrent dislocation of the patella combined with trochlear dysplasia. There was a retrospective analysis of 148 patients and 150 control subjects. The selection of participants was randomized. Hip and knee data for all participants were obtained from X-ray or computed tomography measurements. Nine values, that is, central edge angle (CEA), acetabulum index angle (AIA), femoral neck-shaft angle, sharp angle, the depth of the acetabulum, femoral anteversion angle (FAA), anterior acetabular section angle (AASA), posterior acetabular section angle (PASA), and sulcus angle, were measured to evaluate differences between the control group and the patient group and analyze the correlation of the sulcus angle in patients to FAA and CEA. Patients with recurrent dislocation of the patella had less acetabular coverage and are more likely to develop developmental dysplasia of the hip than the hips of patients with normal knees. For the patient group, three values, that is, CEA (27.68 ± 5.25 vs. 34.30 ± 3.51 degrees, p < 0.001), AASA (57.14 ± 6.17 vs. 63.08 ± 7.23 degrees, p < 0.001), and PASA (89.53 ± 6.51 vs. 99.63 ± 5.94 degrees, p < 0.001), were decreased. The sharp angle (43.77 ± 3.23 vs. 39.28 ± 3.19 degrees, p < 0.001), AIA (11.52 ± 4.41 vs. 3.73 ± 2.51 degrees, p < 0.001), and FAA (24.68 ± 3.44 vs. 18.49 ± 3.55 degrees, p < 0.001) were increased. The acetabulum became shallower in-depth (7.05 ± 2.18 vs. 10.45 ± 1.61 mm, p < 0.001). There was a weak correlation between the sulcus angle and CEA (r =  − 0.302, p < 0.001) and FAA (r = 0.212, p = 0.022). Recurrent patellar dislocation combined with trochlear dysplasia may be associated with the hip morphology. Developmental disorders of the knee joint, and hip joint should be considered in the treatment of patients with recurrent dislocation of the patella.
Platelet Activation via Glycoprotein VI Initiates Thrombin Generation: A Potential Role for Platelet-Derived Factor IX?
Authors: Li Li , Roest Mark , Meijers Joost C. M. , de Laat Bas , Urbanus Rolf T. , de Groot Philip G. , Huskens Dana
Published: May 2022

Collagen triggers coagulation via activation of factor (F) XII. In a platelet-rich environment, collagen can also trigger coagulation independently of FXII. We studied a novel mechanism of coagulation initiation via collagen-dependent platelet activation using thrombin generation (TG) in platelet-rich plasma. Collagen-induced coagulation is minimally affected by active-site inactivated FVIIa, anti-FVII antibodies, or FXIIa inhibition (corn trypsin inhibitor). Activation of platelets via specific glycoprotein (GP) VI agonists initiates TG, FX activation, and fibrin formation. To determine the platelet-derived trigger of coagulation, we systematically reconstituted factor-deficient plasmas with washed platelets. TG triggered by GPVI-activated platelets was significantly affected in FIX- and FVIII-deficient plasma but not in FVII- and FXII-deficient plasma. In a purified system composed of FX and FVIII, we observed that absence of FIX was compensated by GPVI-activated platelets, which could be inhibited by an anti-FIX antibody, suggesting FIXa activity from activated platelets. Furthermore, with the addition of FVIII in FIX-deficient plasma, TG induced by GPVI-activated platelets was restored, and was inhibited by the anti-FIX antibody. In conclusion, GPVI-activated platelets initiate TG, probably via platelet-derived FIXa activity.
Can Integrated Social Protection Programmes Affect Social Cohesion? Mixed-Methods Evidence from Malawi
Authors: Burchi Francesco , Roscioli Federico
Published: May 2022

Through a sequential mixed-methods approach, the paper investigates the effects of the different components of the Tingathe Economic Empowerment Programme (TEEP) on social cohesion in Malawi. The TEEP is an integrated social protection scheme offering to three different groups these services: a lump-sum transfer, a financial/business training connected to the creation of saving groups, and a combination of both. While other studies assessed the impacts of similar programmes on other outcomes, none focussed on social cohesion. The econometric analysis shows no concrete effect of the lump-sum, while both training and participation in savings groups affect within-group trust and cooperation. The qualitative analysis reveals a decline in trust towards local institutions and other village members; however, this was not related to the TEEP but to the social cash transfer (SCT) on whose infrastructure the TEEP rests. Other village members considered unfair that the beneficiaries received the SCT and this caused tensions.
The Effects of Social Protection and Social Cohesion on the Acceptability of Climate Change Mitigation Policies: What Do We (Not) Know in the Context of Low- and Middle-Income Countries?
Authors: Malerba Daniele
Published: May 2022

Significant climate change mitigation policies are urgently needed to achieve emissions reduction targets. This paper shows that social protection and social cohesion play a critical role in making climate policies more acceptable to citizens by summarizing existing streams of research focusing on industrialized countries. Further, the empirical analysis explores whether these relationships also hold for low- and middle-income countries (LMICs), which are increasingly implementing climate change mitigation policies. The results show that vertical and horizontal trust increase acceptability in all countries. However, preferences for social protection have a positive effect only in industrialized ones. This may suggest a contrast between social and environmental goals in LMICs, where social goals are prioritized. The analysis also revealed a significant interaction between social cohesion and social protection. The paper concludes by discussing the existing research gap as to LMICs and outlines policy options to overcome the conflict between social and environmental goals.
Understanding urban fluid flows urgent for dispersing pollution
Authors: Piccone Ashley
Published: May 2022

Arch vortices, which form between buildings in cities, create concentrated areas of poor air quality
Instrument for tensile testing of individual collagen fibrils with facile sample coupling and uncoupling
Authors: Nalbach Mathis , Chalupa-Gantner Franziska , Spoerl Felix , de Bar Victor , Baumgartner Benedikt , Andriotis Orestis G. , Ito Shingo , Ovsianikov Aleksandr , Schitter Georg , Thurner Philipp J.
Published: May 2022

Collagen is the major structural protein in human bodies constituting about 30% of the entire protein mass. Through a self-assembly process, triple helical collagen molecules assemble into high aspect-ratio fibers of tens to hundreds of nanometer diameter, known as collagen fibrils (CFs). In the last decade, several methods for tensile testing these CFs emerged. However, these methods are either overly time-consuming or offer low data acquisition bandwidth, rendering dynamic investigation of tensile properties impossible. Here, we describe a novel instrument for tensile testing of individual CFs. CFs are furnished with magnetic beads using a custom magnetic tweezer. Subsequently, CFs are lifted by magnetic force, allowing them to be picked-up by a microgripper structure, which is mounted on a cantilever-based interferometric force probe. A piezo-lever actuator is used to apply tensile displacements and to perform tensile tests of tethered CFs, after alignment. Once the mechanical tests are finished, CFs are removed from the microgripper by application of a magnetic field. Our novel instrument enables tensile tests with at least 25-fold increased throughput compared to tensile testing with an atomic force microscope while achieving force resolution (p–p) of 10 nN at a strain resolution better than 0.1%.
Comparative study on laser cleaning SiO2 particle on SrTiO3 and Si surfaces
Authors: Wu Lingyan , Yang Aini , Ma Chi , He Jun , Yu Lejun , Sun Bo , Ma Tianxing , Dou Ruifen , Nie Jiacai , Xiong Changmin
Published: May 2022

In this paper, we perform a comparative study, both experimentally and theoretically, on the dry laser cleaning SiO2 particles on the surface of SrTiO3 (STO) and Si single crystal substrates. Firstly, the dependences of the cleaning efficiency on the laser energy density, the pulse number, and the size of SiO2 particles was investigated experimentally. It is found that the laser cleaning threshold decreases with the increase of SiO2 particle size. Furthermore, for the same size of SiO2 particles, the laser cleaning threshold of the STO surface is larger than that of Si. Then, based on the analysis of the interactions among the light field, the particles, and the substrate material, a corrected thermal expansion model with a quantified field enhancement effect was proposed, which provides a good simulation of the dependence of the laser cleaning threshold on the particle size and the substrate. These results further deepen our understanding of the laser dry cleaning, particularly the cleaning process on the oxide surface.
Characteristics of the wake of an inclined prolate spheroid in uniform shear flow
Authors: Wang Zhe , Yang Jianzhi , Andersson Helge I. , Zhu Xiaowei , Wu Yuxin , Wang Liping , Liu Minghou
Published: May 2022

Flow around an inclined 5:2 prolate spheroid with the incidence angle α = 45° is numerically investigated in a uniform shear flow. The Reynolds number based on the inflow center velocity Uc and the volume-equivalent sphere diameter De of the spheroid are considered at Re = 480, 600, 700, and 750. The non-dimensional shear rate K is ranged from 0 to 0.1. Five qualitatively different wake modes are observed, including a new mode characterized by multi-periodic shedding of hairpin vortices with regular rotation of the separation region. In general, the wake transition is suppressed with increasing shear rate. At high shear rates, the flow even reverts from unsteady to steady state at Re = 480, which we attributed to the reduction of the local Reynolds number at the leading-edge side of the spheroid. The time-averaged drag/lift coefficients and the Strouhal number increase with increasing the shear rate and the Reynolds number (except for K = 0). Finally, the effect of a sign-change of the incidence angle of the prolate spheroid on wake evolution is investigated. A physical exploration of the effect of the sign of the incidence angle and the amount of inlet shear is provided to give deeper insight into the physical mechanisms acting in the wake behind inclined non-axisymmetric bluff bodies in a shear flow.
Monitoring substrate-induced electron–phonon coupling at interfaces of 2D organic/inorganic van der Waals heterostructures with in situ Raman spectroscopy
Authors: Li Mingze , Zhang Tingbo , Gao Lei , Wei Yunjia , Fan Xingce , He Yihang , Niu Xianghong , Wang Jinlan , Qiu Teng
Published: May 2022

Multifunctional devices based on 2D organic/inorganic van der Waals heterostructures (2D OIHs) exhibit excellent properties due to extensive and flexible structural tunability. However, how to precisely regulate devices via in situ monitoring technique remains a great challenge, and corresponding development is still in its infancy. In this Letter, we show that Raman spectroscopy can serve as an effective in situ detection strategy to systematically observe the interfacial electron–phonon coupling (IEPC) between substrate and 2D OIHs. Combining non-adiabatic molecular dynamics simulations with ultrafast spectroscopy, we reveal that the different strengths of IEPC between substrates and 2D OIHs can directly modulate the photocarrier lifetimes of inorganic 2D materials, and therefore, indirectly modify the Raman-sensitive photo-induced charge transfer processes at the interface of 2D OIHs. Further in situ Raman evidence demonstrates the unique advantage of Raman spectroscopy with high sensitivity to monitor different substrate-induced IEPC under variable temperature.
Stochastic disturbances, induced by plasma actuator in a flat plate boundary layer
Authors: Moralev Ivan , Ustinov Maksim , Kotvitskii Alexander , Popov Ilya , Selivonin Igor , Kazanskii Pavel
Published: May 2022

Mechanism of hydrodynamic noise generation in a subsonic flat plate boundary layer by a barrier discharge plasma actuator is described. The origin of the pulsations is an inscintric unsteadiness of the discharge structure caused by wandering of the microdischarges. Statistics of discharge wandering is obtained from discharge light emission. Propagation of the disturbances in a slightly unstable Blasius boundary layer is studied both experimentally and numerically. It is demonstrated that the discharge-induced noise can be modeled as a sum of delta-correlated localized boundary layer forcing events, with each event represented by the region of longitudinal and transversal force. Discharge-induced disturbances in the boundary layer undergo three main stages as they move downstream: streak-like structures in the near field, oblique wave fans, and eventually a plane Tollmien–Shllichting wave. A simple statistical model, describing the dependency of the pulsations power on actuator driving frequency and voltage, is proposed.
Thermal deformity and thermolysis of magnetized and fractional Newtonian fluid with rheological investigation
Authors: Panhwer Liaquat Ali , Abro Kashif Ali , Memon Imran Qasim
Published: May 2022

Thermolysis and its deformities can occur at every developmental stage at all temperatures during the process of heating, pyrolysis mechanism, and thermodynamical decompositions. This manuscript investigates thermal-fluid flow of a magnetized Newtonian fluid under the influence of porosity via modern fractional differential approaches. The mathematical modeling of thermal-fluid flow of the magnetized Newtonian fluid is developed for temperature distribution and velocity profile under the Mittag–Leffler function as an imposed boundary condition. The governing equations of thermal-fluid flow of the magnetized Newtonian fluid are non-dimensional and fractionalized through modern non-integer differentiations. The mathematical model of thermal-fluid flow for the magnetized Newtonian fluid is tackled via integral transforms for generating exact analytical solutions. For the sake of comparative analysis of thermodynamical aspects, the Nusselt number from the thermal fractional model and skin friction from the momentum fractional model have been compared graphically via two types of modern non-integer differentiations and statistical observations. The results indicate and suggest the significant impacts in realistic hypothesis.
Kaolinitic clays as a potential source of dioxins in the Noosa River catchment, Queensland, Australia
Authors: Vardy Suzanne , Gruythuysen Jacob , Baddiley Brenda
Published: May 2022

Environmental context Dioxins have been found along the east coast of Australia in agricultural areas where there is no obvious source of dioxins. These dioxins have an unusual signature that does not match common industrial sources, but it has been suggested that they may be associated with pesticide use. This study found a strong correlation between dioxins with this unique signature and the amount of a kaolinitic clay in the sediments sampled. Abstract The presence, concentrations and profiles of 2,3,7,8-substituted polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in sediment were investigated in this study with the aim of determining whether dioxin-like compounds were present and, if found, a likely source could be deduced. The sampled catchment lies within an area of high conservation value. Sediments from seven lake sites were sampled as possible sinks for any contamination from historical pesticide use. PCDD/Fs were measured in all the lake sediments. The 2,3,7,8-substituted congener profile was dominated by octachlorodibenzo-p-dioxin (OCDD) with furans at or below the limit of detection, a profile that has been associated with kaolinitic clays from around the world. A strong and significant correlation was found between the total dioxin concentration and the percentage of kaolinitic clay in the sediments. The lack of furans in the 2,3,7,8-substituted PCDD/F profile indicates pesticides or pentachlorophenol (PCP) are unlikely to be the source in the catchment. Further, the concentration of total dioxins and OCDD tended to be higher than those measured outside the study area, even though, overall, the study area is likely to have had less pesticide use than the other intensive agricultural areas previously studied. The results presented in this paper indicate that caution should taken when attributing the presence of dioxins in soil and sediment to anthropogenic sources.
Transcriptome analysis reveals the main metabolic pathway of c-GMP induced by salt stress in tomato (
Authors: Zhu Xiaolin , Su Meifei , Wang Baoqiang , Wei Xiaohong
Published: May 2022

Tomato (Solanum lycopersicum L.) is a model crop as well as an important food worldwide. In arid areas, increasing soil salinity has limited higher yields in tomato production. As a second messenger molecule, cyclic guanosine monophosphate (c-GMP) plays an indispensable role in plant response to salt stress by regulating cell processes to promote plant growth and development. However, this mechanism has not been fully explored in tomato seedlings. In this experiment, tomato seeds were cultured in four treatments: (1) distilled water (CK); (2) 20 μM c-GMP (T1); (3) 50 mM NaCl (T2); and (4) 20 μM c-GMP + 50 mM NaCl (T3). The results show that 20 μM c-GMP effectively alleviated the inhibitory effect of 50 mM NaCl on growth and development, and induced the expression of 1580 differentially expressed genes (DEGs). Seedlings in the CK vs T1 shared 95 upregulated and 442 downregulated DEGs, whereas T2 vs T3 shared 271 upregulated and 772 downregulated DEGs. Based on KEGG (Kyoto Encyclopaedia of Genes and Genomes) analysis, the majority of DEGs were involved in metabolism; exogenous c-GMP induced significant enrichment of pathways associated with carbohydrates, phenylpropanoids and fatty acid metabolism. Most PMEs, acCoA, PAL, PODs, FADs, and AD were upregulated, and GAPDHs, PL, PG, BXL4, and β-G were downregulated, which reduced susceptibility of tomato seedlings to salt and promoted their salt tolerance. The application of c-GMP increased soluble sugar, flavonoid and lignin contents, reduced accumulation of malondialdehyde (MDA), and enhanced the activity of peroxidase (POD). Thus, our results provide insights into the molecular mechanisms associated with salt tolerance of tomato seedlings.