bluuebunny/crossref_metadata_2025 huggingface dataset:
Spot delivery error predictions for intensity modulated proton therapy using robustness analysis with machine learning
Authors: Newpower Mark A. , Chiang Bing‐Hao , Ahmad Salahuddin , Chen Yong
Published: February 2023

The purpose of this work is to assess the robustness of treatment plans when spot delivery errors were predicted with a machine learning (ML) model for intensity modulated proton therapy (IMPT). Over 6000 machine log files from delivered IMPT treatment plans were included in this study. From these log files, over 4.1 106 delivered proton spots were used to train the ML model. The presented model was tested and used to predict the spot position as well as the monitor units (MU) per spot, based on the original planning parameters. Two patient plans (one accelerated partial breast irradiation [APBI] and one ependymoma) were recalculated with the predicted spot position/MUs by the ML model and then were re‐analyzed for robustness. Plans with ML predicted spots were less robust than the original clinical plans. In the APBI plan, dosimetric changes to the left lung and heart were not clinically relevant. In the ependymoma plan, the hot spot in the brainstem decreased and the hot spot in the cervical cord increased. Despite these differences, after robustness analysis, both ML spot delivery error plans resulted in >95% of the CTV receiving >95% of the prescription dose. The presented workflow has the potential benefit of including realistic spots information for plan quality checks in IMPT. This work demonstrates that in the two example plans, the plans were still robust when accounting for spot delivery errors as predicted by the ML model.
In Situ Fabrication of Metal–Organic Framework Thin Films with Enhanced Pervaporation Performance
Authors: Luo Ruiwen , Fu Huayan , Li Yulin , Xing Qinglei , Liang Guohong , Bai Peng , Guo Xianghai , Lyu Jiafei , Tsapatsis Michael
Published: February 2023

The intrinsic porosity in the periodic structures of metal–organic frameworks (MOFs) endows them with a great potential for membrane separation. However, facile fabrication of crystalline MOF membranes has been challenging and limited to few materials for economic and environmental considerations. Herein, a continuous Zr‐MOF thin film with a thickness of ≈180 nm has been fabricated via in situ recrystallization of MOF nanoparticles on the porous support under formic acid vapor. Owing to the inherent microporosity and the well‐established hydrophilicity during membrane fabrication, the MOF thin films exhibit excellent pervaporation performance with separation factors of 2630, 501 and fluxes of 1.45, 1.41 kg m−2 h−1) for n‐butanol dehydration and methanol/methyl tert‐butyl ether (MeOH/MTBE) separation, respectively. The structural stability of the film has been further confirmed by its steady performance in the 10‐day pervaporation test. This in situ recrystallization method induced by a trace amount of acid vapor with no extra ingredients opens a new avenue for the facile membrane fabrication of various MOF materials to feasibly realize their versatile potential as membrane materials.
Controlling π–π Interactions of Highly Soluble Naphthalene Diimide Derivatives for Neutral pH Aqueous Redox Flow Batteries
Authors: Singh Vikram , Kwon Seongyeon , Choi Yunseop , Ahn Seongmo , Kang Gyumin , Yi Yelim , Lim Mi Hee , Seo Jongcheol , Baik Mu‐Hyun , Byon Hye Ryung
Published: February 2023

Organic redox‐active molecules are a promising platform for designing sustainable, cheap, and safe charge carriers for redox flow batteries. However, radical formation during the electron‐transfer process causes severe side reactions and reduces cyclability. This problem is mitigated by using naphthalene diimide (NDI) molecules and regulating their π–π interactions. The long‐range π‐stacking of NDI molecules, which leads to precipitation, is disrupted by tethering four ammonium functionalities, and the solubility approaches 1.5 m in water. The gentle π–π interactions induce clustering and disassembling of the NDI molecules during the two‐electron transfer processes. When the radical anion forms, the antiferromagnetic coupling develops tetramer and dimer and nullifies the radical character. In addition, short‐range‐order NDI clusters at 1 m concentration are not precipitated but inhibit crossover. They are disassembled in the subsequent electron‐transfer process, and the negatively charged NDI core strongly interacts with ammonium groups. These behaviors afford excellent RFB performance, demonstrating 98% capacity retention for 500 cycles at 25 mA cm‐2 and 99.5% Coulombic efficiency with 2 m electron storage capacity.
Large Biaxial Recovered Strains in Self‐Shrinking 3D Shape‐Memory Polymer Parts Programmed via Printing with Application to Improve Cell Seeding
Authors: Pieri Katy , Liu Di , Soman Pranav , Zhang Teng , Henderson James H.
Published: February 2023

Trapping of strain in layers deposited during extrusion‐based (fused filament fabrication) 3D printing has previously been documented. If fiber‐level strain trapping can be understood sufficiently and controlled, 3D shape‐memory polymer parts could be simultaneously fabricated and programmed via printing (programming via printing; PvP), thereby achieving precisely controlled 3D‐to‐3D transformations of complex part geometries. Yet, because previous studies have only examined strain trapping in solid printed parts—such as layers or 3D objects with 100% infill—fundamental aspects of the PvP process and the potential for PvP to be applied to printing of porous 3D parts remain poorly understood. This work examines the extent to which strain can be trapped in individual fibers and in fibers that span negative space and the extent to which infill geometry affects the magnitude and recovery of strain trapped in porous PvP‐fabricated 3D parts. Additionally, multiaxial shape change of porous PvP‐fabricated 3D parts are for the first time studied, modeled, and applied in a proof‐of‐concept application. This work demonstrates the feasibility of strain trapping in individual fibers in 1D, 2D, and 3D PvP‐fabricated parts and illustrates the potential for PvP to provide new strategies to address unmet needs in biomedical and other fields.
Rhodium(III)‐Catalyzed Divergent C−H Functionalization of N‐Aryl Amidines with Iodonium Ylides: Access to Carbazolones and Zwitterionic Salts
Authors: Ren Jie , Yang Liu , Pi Chao , Cui Xiuling , Wu Yangjie
Published: February 2023

We described an Rhodium(III)‐catalyzed divergent C−H bond functionalization of N‐aryl amidines with iodonium ylides. Carbazolones and zwitterionic salts were diversely constructed through intermolecular annulation and intramolecular proton transfer under the different reaction conditions. This protocol is operationally simple and tolerates a variety of functional groups. The efficient post‐modification of pharmaceutical molecules demonstrates its practicability.
Vacuum‐Deposited Inorganic Perovskite Light‐Emitting Diodes with External Quantum Efficiency Exceeding 10% via Composition and Crystallinity Manipulation of Emission Layer under High Vacuum
Authors: Hsieh Chung‐An , Tan Guang‐Hsun , Chuang Yung‐Tang , Lin Hao‐Cheng , Lai Po‐Ting , Jan Pei‐En , Chen Bo‐Han , Lu Chih‐Hsuan , Yang Shang‐Da , Hsiao Kai‐Yuan , Lu Ming‐Yen , Chen Li‐Yin , Lin Hao‐Wu
Published: February 2023

Although vacuum‐deposited metal halide perovskite light‐emitting diodes (PeLEDs) have great promise for use in large‐area high‐color‐gamut displays, the efficiency of vacuum‐sublimed PeLEDs currently lags that of solution‐processed counterparts. In this study, highly efficient vacuum‐deposited PeLEDs are prepared through a process of optimizing the stoichiometric ratio of the sublimed precursors under high vacuum and incorporating ultrathin under‐ and upper‐layers for the perovskite emission layer (EML). In contrast to the situation in most vacuum‐deposited organic light‐emitting devices, the properties of these perovskite EMLs are highly influenced by the presence and nature of the upper‐ and presublimed materials, thereby allowing us to enhance the performance of the resulting devices. By eliminating Pb° formation and passivating defects in the perovskite EMLs, the PeLEDs achieve an outstanding external quantum efficiency (EQE) of 10.9% when applying a very smooth and flat geometry; it reaches an extraordinarily high value of 21.1% when integrating a light out‐coupling structure, breaking through the 10% EQE milestone of vacuum‐deposited PeLEDs.
Occupational exposure to PFAS: Research and protection needed
Authors: Gaines Linda G. T. , Nylander‐French Leena A.
Published: February 2023

Per‐ and polyfluoroalkyl substances (PFAS) have been used in a variety of consumer and industrial applications. PFAS are associated with numerous detrimental health effects, but workplace exposure to PFAS has only been studied in a small number of occupations. More research is needed to fully understand how workers may be exposed to PFAS and what health effects this may cause.
Expectations and clinical meaningfulness of randomized controlled trials
Authors: Petersen Ronald C. , Aisen Paul S. , Andrews J. Scott , Atri Alireza , Matthews Brandy R. , Rentz Dorene M. , Siemers Eric R. , Weber Christopher J. , Carrillo Maria C.
Published: February 2023

Alzheimer's disease (AD) clinical trials are designed and powered to detect the impact of a therapeutic intervention, and there has been considerable discussion on what constitutes a clinically meaningful change in those receiving treatment versus placebo. The pathology of AD is complex, beginning many years before clinical symptoms are detectable, with multiple potential opportunities for therapeutic engagement. Introducing treatment strategies early in the disease and assessing meaningful change over the course of an 18‐month clinical trial are critical to understanding the value to an effective intervention. With new clinical trial data expected soon on emerging therapeutics from several AD studies, the Alzheimer's Association convened a work group of experts to discuss key considerations for interpreting data from cognitive and functional measures and what is considered a clinically meaningful benefit or meaningful slowing of this fatal disease. Our expectations of outcomes from therapeutic interventions in AD may need to be modified.
Magnetic‐Flux‐Induced Tunable Completely Flat Band and Topological Nearly Flat Band in Square Kagome Lattice
Authors: Chen Chao , Qi Lu , Hu Kai‐Xin , Cao Ji , Cui Wen‐Xue , Zhang Shou , Wang Hong‐Fu
Published: February 2023

The flat bands in a square kagome lattice containing square and triangle plaquettes, are respectively investigated, and the origin of the doubly degenerated completely flat bands and the corresponding compact localized states are elucidated. It is found that the introduction of external magnetic flux enriches the modulation parameters, making the system present many interesting results. In the case that the magnetic flux penetrates through each square plaquette, the tunable completely flat band has one more tunable parameter. And when the external magnetic flux penetrates through each triangle plaquette, excepting a completely flat band, the band dispersions of the system present the topological nearly flat band, which is very useful to realize the interesting fractional quantum Hall physics. The average density of states is also calculated to corroborate the completely FB generated by the highly localized eigenstates. Furthermore, the implementation of the square kagome lattice system based on the current photonic waveguide network technology is demonstrated. The scheme opens up a way to generate the tunable completely flat band and topological nearly flat band in square kagome lattice under multi‐parameter variable conditions.
Engineering a Copper Single‐Atom Electron Bridge to Achieve Efficient Photocatalytic CO2Conversion
Authors: Wang Gang , Wu Yan , Li Zhujie , Lou Zaizhu , Chen Qingqing , Li Yifan , Wang Dingsheng , Mao Junjie
Published: February 2023

Developing highly efficient and stable photocatalysts for the CO2reduction reaction (CO2RR) remains a great challenge. We designed a Z‐Scheme photocatalyst with N−Cu1−S single‐atom electron bridge (denoted as Cu‐SAEB), which was used to mediate the CO2RR. The production of CO and O2over Cu‐SAEB is as high as 236.0 and 120.1 μmol g−1 h−1in the absence of sacrificial agents, respectively, outperforming most previously reported photocatalysts. Notably, the as‐designed Cu‐SAEB is highly stable throughout 30 reaction cycles, totaling 300 h, owing to the strengthened contact interface of Cu‐SAEB, and mediated by the N−Cu1−S atomic structure. Experimental and theoretical calculations indicated that the SAEB greatly promoted the Z‐scheme interfacial charge‐transport process, thus leading to great enhancement of the photocatalytic CO2RR of Cu‐SAEB. This work represents a promising platform for the development of highly efficient and stable photocatalysts that have potential in CO2conversion applications.
Copper complexes suppress stemness, reverse epithelial‐to‐mesenchymal transition progression, and induce apoptosis on triple negative breast cancer
Authors: Li Dongdong , Dai Linlin , Wang Luyao , Tan Cheng , Cai Jun , Wang Hui , Zhao Xiumei
Published: February 2023

Cancer stem cells (CSCs) are a small proportion of tumor cells with great tumorigenicity, self‐renewal ability, and intrinsic resistance to conventional and targeted cancer therapy; thus, targeting CSC is becoming an emerging cancer treatment. In this paper, five novel copper (II) complexes [Cu(OH‐PIP)(Tyr)(H2O)]PF6 (1), [Cu(m‐OH‐PIP)(Gly)]NO3·2.25H2O (2), [Cu(Cl‐PIP)(Gly)Br] (3), [Cu(F‐PIP)(Tyr)Cl] (4), and [Cu(F‐PIP)(Phe)Br] (5) have been synthesized and characterized by infrared spectroscopy and single crystal X‐ray diffraction analysis. All the complexes were screened for their in vitro cytotoxicity activity against a panel of human breast cancer cells (CAL‐51, MDA‐MB‐231, and MCF‐7), human liver cancer cells (HepG 2, SMMC‐7721) and human pancreatic cancer cells (PANC‐1) using MTT assay. They have potential proliferative inhibition for all the tested cancer cell lines, especially the triple‐negative breast cancer (TNBC) CAL‐51 cells are inhibited significantly with IC50 values ranging from 0.11 to 2.35 μM. Cellular functional assays showed that representative complexes 1 and 5 could trigger apoptosis, evidenced by Hoechst 33258 staining, flow cytometry assays, and the alteration of Bax, Bcl‐2, Caspase‐3, and PARP levels. In addition, they dramatically suppressed colony and mammosphere formation, inhibited cancer cell stemness and migration, and reversed epithelial–mesenchymal transition (EMT) progression in CAL‐51 cells, indicating their great potential as anti‐CSC agents for therapy of TNBC.
Phenylenediamine‐phenyl phosphonic acid salts toward good flame retardancy and smoke suppression epoxy resin
Authors: Wang Xinyu , Wu Kunxiong , Zhou Chenyu , Pan Zhiquan , Feng Lu , Cheng Qingrong , Zhou Hong
Published: February 2023

An environmentally friendly flame retardant named PO‐PA was designed to enhance the flame retardancy of epoxy resin (EP). Following the principles of efficiency and simplicity, PO‐PA was synthesized through a one‐pot reaction between phenyl phosphonic acid and p‐phenylenediamine. The chemical structure of PO‐PA was characterized by Fourier‐transform infrared (FTIR) spectroscopy, X‐ray photoelectron spectroscopy (XPS), elemental analysis (EA) and thermogravimetric analysis (TGA). EP containing 10 wt% PO‐PA (EP/10%PO‐PA) passed the UL94 V‐0 rating without dripping. In the cone calorimeter test, the total heat release and total smoke production of EP/10%PO‐PA decreased by 44% and 65%, respectively. TG‐FTIR and Py‐GC/MS were used to investigate the pyrolysis gases of the EP composites and PO‐PA, respectively. Scanning electron microscopy (SEM), FTIR, EA and XPS were utilized to study the char residues. It was proved that PO‐PA notably promoted the formation of smooth protective char layer in the condensed phase and effectively inhibited the oxidation chain reactions through releasing the phosphorus‐containing radicals in gas phase, which was not mentioned in the similar research based on phenyl phosphonic acid.
Dielectric properties of nano‐MMT and graphene quantum dots embedded poly (vinylidene fluoride‐co‐hexafluoropropylene) nanocomposite films
Authors: Kumar Y. Ravi , Deshmukh Kalim , Kadlec Jaroslav , Pasha S. K. Khadheer
Published: February 2023

In this work, montmorillonite (MMT) nanoclay and graphene quantum dots (GQDs) embedded poly (vinylidenefluoride‐co‐hexafluoropropylene) (PVDF‐HFP) nanocomposite films were prepared using the solution‐casting technique and characterized using Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), Scanning electron microscopy (SEM) and Atomic force microscopy (AFM). The thermal, mechanical and dielectric properties of PVDF‐HFP/MMT/GQDs nanocomposite films were also investigated. The dielectric constant (ɛ′), dielectric loss (ɛ″) and conductivity (σ) of synthesized nanocomposite films were evaluated in the frequency and temperature range f100 Hz–1 MHz and 30–150°C, respectively. The highest ɛ′ with relatively high ɛ″ was achieved at low frequency for increasing temperature for all the nanocomposite films. The conductivity results showed good increment from lower to higher frequency up to 100 kHz at increasing temperature. The Cole–Cole plots represent the complex impedance of PVDF‐HFP/MMT/GQDs nanocomposites at 150°C. The attained results imply that the PVDF‐HFP/MMT/GQDs nanocomposite films can be useful candidates for flexible electronic devices.
Mechanische Aktivierung von Lehm
Authors: Streit Erich , Liberto Teresa , Kirchengast Ines , Korjenic Azra
Published: February 2023

Lehm weist bekanntermaßen bauphysikalische Vorteile wie die Feuchtesorption bzw. Feuchteregulierung, Schalldämmung und das Wärmespeichervermögen auf. Verglichen mit anderen Baustoffen erweisen sich Festigkeiten wie die Druck‐ und Biegezugfestigkeit als niedrig bzw. nachteilig. Zur Optimierung von Lehm als Baustoff, vornehmlich zur Herstellung für Lehmbauplatten, wurde die mechanische Aktivierung mit einer Scheibenschwingmühle durchgeführt, um den Einfluss auf die Druck‐ und Biegezugfestigkeit zu untersuchen. Der verwendete Lehm wurde vorab gesiebt, die Fraktionen < 250 μm gemahlen und in unterschiedlichen Zusammensetzungen zu Prüfkörpern verpresst. Für Proben bestehend aus einer Mischung aus der gemahlenen Fraktion und größeren nicht gemahlenen Fraktionen konnte eine maximale Steigerung der Druckfestigkeit von 74 %, bei einer Mahldauer von 60 Minuten und 20 M.% Zugabe von Wasser festgestellt werden. Auch bei rheologischen Vortests (SAOS), bei welchen die Kohäsionsentwicklung der Probe, in Form einer Paste, über die Zeit gemessen wurde, wurde ein Maximum der Reaktionsfähigkeit bei 60 Minuten lang gemahlenen Proben erfasst. Eine Steigerung der Biegefestigkeit wurde nicht nachgewiesen.
In‐situ U‐Wert‐Messung – Teil 2: Vergleich von Messgeräten und Anwendung vor Ort
Authors: Hoffmann Caroline , Geissler Achim , Anders Steffen
Published: February 2023

U‐Wert‐Messungen vor Ort (in situ) eignen sich für Gebäude, bei denen die Konstruktion unbekannt ist und eine zerstörungsfreie, sichere Aussage zu den thermischen Eigenschaften getroffen werden soll. In‐situ U‐Wert‐Messungen sind der Gegenstand von zwei kürzlich abgeschlossenen Forschungsprojekten aus Deutschland und der Schweiz. Die Grundlagen zur U‐Wert‐Messung, die möglichen Messverfahren, sowie Messungen mit der Wärmeflussmethode und der Rapid U‐Value‐Messtechnik (Rapid‐U) im Labor als Bestandteil des Forschungsprojektes aus Deutschland wurden in Teil 1 dieser zweiteiligen Veröffentlichung dargestellt. Teil 2 der Veröffentlichung berichtet von einem Forschungsprojekt aus der Schweiz, in dessen Rahmen eine Anwendungshilfe für die in situ U‐Wert‐Messung erstellt wird. Grundlage sind U‐Wert‐Messungen mit am Markt erhältlichen Messgeräten, die auf eine breite Anwendung zielen. Es wurde mit zwei Messgeräten, die auf der Wärmeflussmethode basieren, und einem temperaturbasierten Messgerät gemessen. Die In‐situ‐Messungen werden durch vergleichende Messungen im Labor und Simulationen ergänzt. Zusätzlich werden Kontakt‐ und Haftmittel zur Befestigung der Sensoren an den zu messenden Bauteilen getestet. Untersucht werden schwere, homogene Bauteile, damit beziehen sich die Erkenntnisse hauptsächlich auf diesen Bauteiltyp.
Geeignete Beurteilungsgrößen für die Luftschalldämmung von Haustrennwänden – Bewertung der Schalldämmung bei üblichen Wohngeräuschen
Authors: Rabold Andreas , Marxt Michaela , Schanda Ulrich
Published: February 2023

Die Ermittlung und Bewertung der Schalldämmung eines Trennbauteils anhand einer Messgröße muss sich immer am tatsächlich erreichten Schallschutz zwischen den Wohneinheiten messen. Hieraus ergibt sich die Frage nach einer geeigneten Einzahlbewertung, die mit dem übertragenen Pegel üblicher Wohngeräusche korreliert. Soll diese Frage beantwortet werden, ist zunächst zu klären, welche Spektren übliche Wohngeräusche aufweisen. Der übertragene Pegel dieser Wohngeräusche kann anschließend anhand der Schalldämmung des Trennbauteils frequenzabhängig berechnet und gehörrichtig bewertet werden. Durch die Korrelation zwischen dem übertragenen Wohngeräuschpegel und dem Einzahlwert der Schalldämmung wird nun die Eignung der Beurteilungsgröße ersichtlich. Die beschriebene Vorgehensweise wird in der vorliegenden Veröffentlichung auf die Schalldämmung verschiedener Haustrennwände von Doppel‐ und Reihenhäusern angewendet, da diese bei den Mindestanforderungen nach DIN 4109‐1 und den erhöhten Anforderungen nach DIN 4109‐5 eine Sonderposition in Bezug auf die Anforderungshöhe einnehmen. Es werden unterschiedliche Haustrennwandtypen in Massiv‐ und Holzbauweise untersucht, deren Schalldämmung aus Baumessungen vorliegen. Vorschläge alternativer Bewertungsverfahren zur DIN EN ISO 717‐1 und übliche Wohngeräusche konnten der Literatur entnommen und durch aktuelle Daten ergänzt werden. Neben der Eignung der Beurteilungsgrößen werden auch Zielwerte für die Schalldämmung diskutiert, die eine sichere Planung von Haustrennwänden ermöglichen sollen.
Entwicklung und Erprobung eines urbanen Grünfassadensystems für Mensch, Flora und Fauna
Authors: Krause Pia , Meier Linda , Leistner Philip , Eitle Adrian , Bender Eva , Fischer Leonie K. , Müller Hans
Published: February 2023

In diesem Beitrag werden die klimaregulierenden und biodiversitätsfördernden Wirkpotenziale und Synergien eines innovativen Grünfassadensystems für Mensch, Flora und Fauna vorgestellt. Mit dem eigens entwickelten System werden vertikale Lebensräume insbesondere für gebietsheimische Pflanzen, Vögel und Insekten erschlossen sowie klimatische Ausgleichsfunktionen für Gebäude und Menschen geschaffen. Eine interdisziplinär ausgerichtete Untersuchungsmethodik führt die Bereiche (Stadt‐)Bauphysik und Ökologie zusammen. Die daraus resultierenden Untersuchungsergebnisse aus den Sommermonaten 2022 belegen den Beitrag der begrünten Oberfläche zur Verringerung von Hitzeeinträgen in die dahinterliegende Fassade sowie in die gebäudenahe Umgebung im Vergleich zu einer Referenzbetonwand. Gleichzeitig wurde die Artenvielfalt (bspw. unterschiedliche Insekten) auf der Vertikalen, durch die Schaffung von heterogenen Lebensräumen und Pflanzenbeständen signifikant erhöht. Dadurch stellt das entwickelte Grünsystem einen innovativen Baustein zur Bewältigung von komplexen Anforderungen durch Klimawandel, Urbanisierung und Artenschwund in der gebauten Umwelt dar und zeigt Lösungen für inklusive urbane Oberflächen für Mensch, Flora und Fauna auf.
Crocetin regulates Th1/Th2 and Th17/Treg balances, nitric oxide production, and nuclear localization of NF‐κB in Th2‐provoked and normal situations in human‐isolated lymphocytes
Authors: Baradaran Rahimi Vafa , Saadat Saeideh , Rahmanian Devin Pouria , Jebalbarezy Ali , Moqaddam Maryam , Boskabady Mohammad Hossein , Askari Vahid Reza
Published: February 2023

Crocetin is a natural carotenoid dicarboxylic acid derived from Crocus sativus. It has been utilized as natural biomedicine with healing effects. The immunoregulatory and anti‐inflammatory properties may cause the biological activities of crocetin. Nevertheless, it is not still clear how this compound acts and causes an immune‐modulatory impact on human lymphocytes. The effects of three concentrations (5, 10, and 20 μM) of crocetin or dexamethasone (0.1 mM) were assessed on gene expression and secretion of cytokines, nuclear factor kappa‐light‐chain‐enhancer of activated B cells (NF‐κB) level, and nitric oxide (NO) production in phytohaemagglutinin (PHA)‐stimulated and non‐stimulated lymphocytes. By incubation with PHA, gene expression and cytokine concentration comprising interferon (IFN)‐γ, interleukin (IL)‐17A, IL‐10, and IL‐4 were increased, along with NF‐κB concentration and NO production (all, p < 0.001). In comparison with the controls, an alteration occurred in the T‐helper (Th)2/Th1 and Th17/Treg balance in the stimulated lymphocyte toward a Th2 and Th17 response. In stimulated cells, crocetin and dexamethasone decreased pro‐inflammatory significantly and increased anti‐inflammatory cytokines and related gene expression, respectively. Moreover, Th17/Treg and Th1/Th2 balance was changed toward Treg and Th1 significantly reducing NF‐κB and NO levels (p < 0.05 to p < 0.001). Promoting effects were represented by crocetin on T‐cell subsets to Treg and Th1. Hence, it can have therapeutic value for treating predominant diseases of Th2 or Th17 cells.
Differentiated processing of emotional cues in adolescents and young adults with ICD‐11 PTSD and complex PTSD after child abuse
Authors: Iffland Benjamin , Eilers Rebekka , Rosner Rita , Renneberg Babette , Steil Regina , Neuner Frank
Published: February 2023

Background

The recent update of the International Classification of Diseases 11th revision (ICD‐11) introduced the diagnosis of complex posttraumatic stress disorder (CPTSD) as a distinct entity from posttraumatic stress disorder (PTSD). Because psychophysiological alterations are a core diagnostic feature of PTSD and CPTSD, the aim of the current study was to examine potential distinctive patterns in cortical and cardiac responses to emotional words in adolescent and young adult patients with PTSD and CPTSD.

Method

Event‐related potentials and heart rate responses were studied in 81 adolescent and young adult participants, of which 17 individuals were diagnosed with ICD‐11 PTSD and 32 individuals with CPTSD, each after childhood sexual and/or physical abuse. Thirty‐two individuals served as healthy controls. The paradigm consisted of a passive reading task with neutral, positive, physically threatening, and socially threatening words.

Results

Differentiated early processing of emotional words was indicated by differences on P1 and left EPN components. Additionally, PTSD and CPTSD patients presented with specific patterns of heart rate responses to emotional words. In CPTSD patients, heart rate reactions to emotional words were more variable than in PTSD patients.

Conclusions

These findings provide early evidence of differentiated cortical and cardiac response patterns in adolescent and young adult patients with CPTSD and PTSD, supporting a nosological distinction between PTSD and complex PTSD. However, due to small and unequal sample sizes, findings presented in the current study are preliminary and require future research.
Reduced expression of alanyl aminopeptidase is a robust biomarker of non‐familial adenomatous polyposis and non‐hereditary nonpolyposis colorectal cancer syndrome early‐onset colorectal cancer
Authors: Ha Ye Jin , Shin Yun Jae , Tak Ka Hee , Park Jong Lyul , Kim Jeong Hwan , Lee Jong Lyul , Yoon Yong Sik , Kim Chan Wook , Kim Seon Young , Kim Jin Cheon
Published: February 2023

Background

Early‐onset colorectal cancer (EOCRC) has been increasing in incidence worldwide but its genomic pathogenesis is mostly undetermined. This study aimed to identify robust EOCRC‐specific gene expression patterns in non‐familial adenomatous polyposis (FAP) and non‐hereditary nonpolyposis colorectal cancer syndrome (HNPCC) EOCRC.

Method

We first performed gene expression profiling analysis using RNA sequencing of discovery cohort comprised of 49 EOCRC (age <50) and 50 late‐onset colorectal cancer (LOCRC) (age >70) specimens. To obtain robust gene expression data from this analysis, we validated differentially expressed genes (DEGs) through TCGA cohort (EOCRC:59 samples, LOCRC:229 samples) and our validation cohort (EOCRC:72 samples, LOCRC:43 samples) using real‐time RT‐PCR. After the validation of DEGs, we validated the selected gene at protein levels using Western blotting. To identify whether genomic methylation regulates the expression of a particular gene, we selected methylation sites using The Cancer Genome Atlas (TCGA) datasets and validated them by pyrosequencing in our validation cohort.

Results

The EOCRC patients included in this study had significantly more prominent family history of cancer than the LOCRC patients (23 [46.9%] vs. 13 [26%], p = 0.050). Alanyl aminopeptidase (ANPEP) was significantly downregulated in the EOCRC tissues (FC = 1.78, p = 0.0007) and was also commonly downregulated in the TCGA cohort (FC = −1.08, p = 0.0021). Moreover, the ANPEP mRNA and protein expression levels were significantly downregulated in the EOCRC tissues of our validation cohort (p = 0.037 and 0.027). In comparisons of the normal and tumor tissues in public datasets, the ANPEP level was significantly lower in the tumor tissue in the TCGA dataset (p < 2.2 × 10−16) and GSE196006 dataset (p = 0.0005). Furthermore, the ANPEP expression level did not show a decreasing tendency at a young age in the normal colon tissue of the GTEx dataset. Lastly, the hypermethylation of cg26222247 in ANPEP was identified to be weakly associated with reduced ANPEP expression in our EOCRC cohort.

Conclusion

The reduced expression of ANPEP was identified as a novel biomarker of non‐FAP and non‐HNPCC EOCRC.
Analysis of Bitter Almonds and Processed Products Based on HPLC‐Fingerprints and Chemometry
Authors: Zhang Guoqin , Liu Meiqi , Ma Zicheng , Wang Meng , Sun Lili , Liu Yanan , Ren Xiaoliang
Published: February 2023

In the processing field, there is a saying that “seed drugs be stir‐fried”. Bitter almond (BA) is a kind of seed Chinese medicine. BA need be used after being fried. To distinguish raw bitter almonds (RBA) from processed products and prove the rationality of “seed drugs be stir‐fried”, we analyzed the RBA and five processed products (scalded bitter almonds, fried bitter almonds, honey fried bitter almonds, bran fried bitter almonds, bitter almonds cream) using RP‐HPLC fingerprints and chemometric methods. The similarity between RBA and processed products was 0.733∼0.995. Hierarchically clustered heatmap was used to evaluate the changes in components. Principal component analysis (PCA) was used for classification, and all samples are distinguished according to RBA and five processing methods. Six chemical markers were obtained by partial least squares discriminant analysis (PLS‐DA). The content and degradation rate of amygdalin and β‐glucosidase activity were determined. Compared with RBA, the content and degradation rate of amygdalin, and β‐glucosidase activity were increased in bitter almonds cream. The content and degradation rate were decreased, and β‐glucosidase was inactivated in other processed products. The above results showed that stir‐frying had the best effect. The results showed that processing can ensure the stability of RBA quality, and the saying “seed drugs be stir‐fried” is reasonable.
Copper‐Phthalocyanine‐based Covalent Organic Polymers for Electrocatalytic Ambient Ammonia Synthesis
Authors: Jiang Cheng , Xue Hairong , Wang Tao , He Jianping
Published: February 2023

Accurate structure‐designed single‐metal‐atom doped covalent organic polymers (COPs) are expected to be one of the most promising nitrogen reduction reaction (NRR) electrocatalysts due to their adjustable metal center coordination environment.[1–3] However, pyrolysis of the material is often required to overcome the intrinsically low conductivity of COPs materials, resulting in undesirable structural changes.[4,5] Moreover, the ligand portion connected to the monomer can modulate the electronic state of the catalytic center of the monomer to achieve enhanced kinetics parts of the reaction.[6–8] To overcome this shortcoming, this study reports hybrid electrocatalysts formed by self‐assembling pristine covalent organic polymers (COPs) with oxidized carbon nanotubes (O‐CNT). The electrical conductivity of the hybridized COP/O‐CNT materials can be increased by the O‐CNT. The catalyst attains a FE of 26.8 % and a large NH3 yield rate of 12.3 ug−1 h−1 cm−2 at −0.3 V versus a reversible hydrogen electrode. DFT calculations show that the NRR process tends to choose alternation paths. Therefore, the synthesized PCuPc/O‐CNT as a stable, high‐efficiency NRR catalyst offers a valuable reference for single‐atom COPs electrocatalyst research in electrochemical nitrogen fixation.
Facile Synthesis of Tetraphenylethene (TPE)‐Based Fluorophores Derived by π‐Extended Systems: Opposite Mechanofluorochromism, Anti‐Counterfeiting and Bioimaging
Authors: Xiao Yufeng , Zheng Kaibo , Zhang Nuonuo , Wang Yanlan , Yan Jiaying , Wang Dong , Liu Xiang
Published: February 2023

Although remarkable progresses are achieved in the design and development of the mono‐shift in photoluminescence for mechanofluorochromic materials, it is still a severe challenge to explore the opposite mechanofluorochromic materials with both blue‐ and red‐shifted photoluminescence. Herein, two unprecedented 4,5‐bis(TPE)‐1H‐imidazole fused pyridine or quinoline‐based fluorophores X‐1 and X‐2 were designed and synthesized, and X‐1 and X‐2, exhibit completely opposite mechanofluorochromic behavior. Under UV lamp, the color of pristine X‐1 changed from blue to green with reversible redshifted 27 nm in fluorescence emission spectra after ground, while the color of pristine X‐2 changed from red to yellow with reversible blue‐shifted 74 nm after ground. The detailed characterizations (including PXRD, SEM and DSC) confirmed that this opposite mechanofluorochromism was attributed to the transformation of order‐crystalline and amorphous states. The crystal structure analysis and theoretical calculation further explain that opposite mechanofluorochromic behavior take into account different π–π stacking mode by induced π‐extended systems. In addition, these TPE‐based fluorophores (X‐1 and X‐2) exhibited excellent bio‐compatibility and fluorescence properties for bio‐imaging, writable data storage and anti‐counterfeiting materials.
Bioinspired Design of an Uncharged Ambipolar Helical Scaffold To Achieve Efficient Solid‐State Proton Conduction
Authors: Aggarwal Himanshu , Gaikwad Pradip A. , Dahat Anjali , Narayan Ghosh Swapnendu , Mehra Palak , Paul Amit , Talukder Santanu , Srivastava Aasheesh
Published: February 2023

This work demonstrates highly efficient solid‐state proton conduction in helical organic scaffolds inspired by the biomolecule gramicidin A. The scaffold, 1, derived from a pyridine‐2,6‐dicarboxamide (PDC) residue adopts a helical conformation that is stabilized by a network of strong bifurcated intramolecular H‐bonds between the polar residues that align the inner (concave) face of the molecule, while the aromatic units in 1 are oriented outwards. As a result, the helix attains an ambipolar nature just like gramicidin A. Two different solid forms of 1 could be isolated: a yellow solid from high‐polarity solvents and an orange solid from low‐polarity solvents. Single‐crystal X‐ray diffraction (SCXRD) studies showed that in the former, molecules of 1 are stacked in a homochiral fashion, while in the latter heterochiral stacks of 1 were present. The yellow form exhibited an almost ∼300‐fold higher conductivity (of up to 0.12 mS cm−1 at 95 °C and 95 % relative humidity) than the orange form as a result of closer intermolecular proximity and lower activation energy of 0.098 eV, thus indicating a Grotthus mechanism of proton transport. This study establishes the key role of bioinspired design and controlled stereo‐organization of such discrete uncharged organic molecules in achieving efficient solid‐state proton conduction.
Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design
Authors: Krieger Johannes , Sorrell Fiona J. , Wegener Ansgar A. , Leuthner Birgitta , Machrouhi‐Porcher Fouzia , Hecht Martin , Leibrock Eva M. , Müller Juliane E. , Eisert Jonathan , Hartung Ingo V. , Schlesiger Sarah
Published: February 2023

Herein, we describe a systematic SAR‐ and SPR‐investigation of the peptidomimetic hydroxy‐proline based VHL‐ligand VH032, from which most to‐date published VHL‐targeting PROTACs have been derived. This study provides for the first time a consistent data set which allows for direct comparison of structural variations including those which were so far hidden in patent literature. The gained knowledge about improved VHL binders was used to design a small library of highly potent BRD4‐degraders comprising different VHL exit vectors. Newly designed degraders showed favorable molecular properties and significantly improved degradation potency compared to MZ1.
Using dynamic voltage frequency scaling and service‐level agreement to reduce energy consumption in cloud datacenters based on distance
Authors: Khatibi Arezoo , Khatibi Omid
Published: February 2023

Energy consumption in cloud is an important topic. Previous works have reduced energy consumption, but have not consider and optimal selection of servers in a datacenter. In our paper, we try to elicit optimal selection of servers in a datacenter. We will modify the architecture of the system and the proposed algorithm using service‐level agreement (SLA) for datacenter servers in this selection, we consider the distance between the servers and the job and if there is a violation of SLA, the migration of virtual machines (VMs) occurs. On the other hand, unnecessary migration of VMs increases energy consumption. So we provide an algorithm for migrating VMs, and because we need task scheduling to perform tasks in the cloud, we will also provide algorithms for tasks migrating. Energy consumption is important for us, we use dynamic voltage frequency scaling to reduce energy consumption. On the other hand, the selection of service providers is done in the SLA management, and these service providers are located on different datacenters, we consider the parameter of the distance to the service consumer in selecting the appropriate datacenter.
Cover cropping history affects cotton boll distribution, lint yields, and fiber quality
Authors: Billman Eric D. , Campbell B. Todd
Published: February 2023

There has been limited introduction of new cover crop species into cotton (Gossypium hirsutum L.) production within the last 30 years. Mounting evidence shows that traditional cover cropping species may be detrimental to cotton production, either by depleting soil fertility with crop removal, immobilizing minerals from high carbon residue, or excessive quantity of residue remaining at planting. The objective of this study was to determine the effects of growing a novel cover crop species, carinata (Brassica carinata A. Braun), as a winter annual cover crop for cotton rotation in the southeastern Coastal Plain. Over a 2‐year period, carinata, winter wheat (Triticum aestivum L.), and fallow covers were maintained over winter months, then rotated into cotton. Each year, seedcotton and lint yields were collected, along with subsamples for ginning and subsequent fiber quality analyses. Additionally, end‐of‐season plant mapping was conducted on plants from 1 m of row per plot to determine cover crop effects on boll formation, retention, and distribution, as well as canopy architecture. Results indicated that seedcotton and lint yield of cotton following carinata was greater than cotton following winter wheat, and lint yields of cotton following wheat were lower than cotton after fallow. Fiber quality was largely unaffected by preceding cover crop. End‐of‐season plant mapping indicated that cotton grown after carinata had more position 2 bolls, which correlated to greater lint yields. These results indicate that carinata can potentially serve as a new, more effective cover crop than winter wheat for cotton rotations in Coastal Plain soils.
The impact of ESG factors on financial efficiency: An empirical analysis for the selection of sustainable firm portfolios
Authors: Iazzolino Gianpaolo , Bruni Maria Elena , Veltri Stefania , Morea Donato , Baldissarro Giovanni
Published: February 2023

Environmental, Social, and Governance (ESG) factors are increasingly at the center of corporate and investment decisions. In this context, the aim of the paper was to test whether ESG factors impact on financial efficiency of a sample of firms belonging to different European sectors. This study enriches the literature of the field through a multi‐sectoral analysis. The Data Envelopment Analysis was used as widely considered in empirical and financial studies. Research findings showed that ESGs impact on firm efficiency differently over sectors: some of them are more sensitive than others to ESG factors. Furthermore, for most sensitive sectors the risk‐return characteristics related to ESGs were represented in order to provide insights for investors aiming to construct efficient and sustainable firm portfolios to invest in.
Net gain: Low‐cost, trawl‐associated eDNA samplers upscale ecological assessment of marine demersal communities
Authors: Maiello Giulia , Talarico Lorenzo , Brodie Chris , Carpentieri Paolo , Sbrana Alice , Shum Peter , Mariani Stefano , Russo Tommaso
Published: February 2023

Marine biodiversity stewardship requires costly and time‐consuming capture‐based monitoring techniques, which limit our understanding of the distribution and status of marine populations. Here, we reconstruct catch and demersal community composition in a set of 24 fishing sites in the central Tyrrhenian Sea by gathering environmental DNA (eDNA) aboard commercial bottom‐trawl fishing vessels. We collected genetic material from two sources: the water draining from the net after the end of hauling operations (“slush”), and custom‐made rolls of gauze tied to a hollow perforated sphere placed inside the fishing net (“metaprobe”). Species inventories were generated using a combination of fish‐specific (Tele02 12S) and universal metazoan (COI) molecular markers. DNA metabarcoding data recovered over 90% of the caught taxa and accurately reconstructed the overall structure of the assemblages of the examined sites, reflecting expected differences linked to major drivers of community structure in Mediterranean demersal ecosystems, such as depth, distance from the coast, and fishing effort. eDNA also returned a “biodiversity bonus” mostly consisting of pelagic species not catchable by bottom trawl but present in the surrounding environment. Overall, the “metaprobe” gauzes showed a greater biodiversity detection power as compared to “slush” water, both qualitatively and quantitatively, strengthening the idea that these low‐cost sampling devices can play a major role in upscaling the gathering of data on both catch composition and the broader ecological characteristics of marine communities sustaining trawling activities. This approach has the potential to drastically expand the reach of ecological monitoring, whereby fishing vessels operating across the oceans may serve as opportunistic scientific platforms to increase the strength and granularity of marine biodiversity data.
Towards Green Reductions in Bio‐Derived Solvents
Authors: Perrone Serena , Messa Francesco , Salomone Antonio
Published: February 2023

The hydrogenation processes, and all the reactions that formally add two hydrogen atoms to an unsaturated bond, are among the most used transformations in the manufacture of bulk and fine chemicals. Although their potential as powerful tool for the sustainable synthesis of organic compounds, hydrogenations, and more generally the reductions, have been typically carried out in volatile organic solvents deriving from petroleum; indeed, all studies and fascinating advances related to the catalysts’ activity or the reducing agents’ reactivity have been limited to such volatile and often toxic reaction media. In this review, recent advances in the reducing methodologies with an improved degree of sustainability have been described. In particular, a series of examples have been reported to highlight the chance to reduce an organic compound by using a benign solvent deriving from renewable sources, without waiving to the process efficiency and selectivity. Some important key points of green chemistry, such as the easiness of catalyst recovery or the simplicity of product isolation, have been considered in the choice of the described studies.
A dynamic variational multiscale method on unstructured meshes for stationary transport problems
Authors: Xu Zelu , Sahni Onkar
Published: February 2023

This paper presents a variational multiscale (VMS) based finite element method where the stabilization parameter is computed dynamically. The current dynamic procedure takes in a general structure/form of the stabilization parameter with unknown coefficients and computes them dynamically in a local fashion resulting in a dynamic VMS‐based finite element method. Thus, a static stabilization parameter with pre‐defined coefficients is not needed. A variational Germano identity (VGI) based local procedure suitable for unstructured meshes is developed to perform the dynamic computation in a local fashion. The local VGI based procedure is applied for each interior vertex in the mesh and unknown coefficients are first determined locally at each vertex, and subsequently, for each element a maximum value is taken over the vertices of the element. To make the current procedure practical, a coarser secondary solution is constructed from the primary coarse‐scale solution, which is done locally over a patch of elements around each interior vertex. Further, averaging steps are employed to make the local dynamic procedure robust. Currently, the new dynamic VMS formulation is applied to steady problems governed by the advection‐diffusion and incompressible Navier‐Stokes equations in both 1D and 2D to demonstrate its efficacy and effectiveness.