bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stoichiometric Dissolution of Defective CsPbI2Br Surfaces for Inorganic Solar Cells with 17.5% Efficiency
Authors: Liu Xinyi , Lian Huijun , Zhou Ziren , Zou Can , Xie Jin , Zhang Fan , Yuan Haiyang , Yang Shuang , Hou Yu , Yang Hua Gui 
Published: February 2022

AbstractThe existence of a defective area composed of nanocrystals and amorphous phases on a perovskite film inevitably causes nonradiative charge recombination and structural degradation in perovskite photovoltaics. In this study, a stoichiometric etching strategy for the top surface of a defective cesium lead halide perovskite is developed by using ionic liquids. The dissolution of the original defective area substantially exposes the underlying perovskite, which is a high‐quality surface with retained stoichiometry and lattice continuity. The ionic liquid molecules are adsorbed on the perovskite surface via Coulombic interactions and passivate the undercoordinated surface lead centers. Such a structural modulation considerably reduces the trap density of the perovskite devices and enables a record power conversion efficiency of 17.51% and an open‐circuit voltage of 1.37 V of the CsPbI2Br cell with a perovskite bandgap of 1.88 eV. This work provides a novel technical route to improve the efficiency and environmental resilience of perovskite‐based optoelectronic devices.
Synthesis of Enantiopure Sulfoxides by Concurrent Photocatalytic Oxidation and Biocatalytic Reduction
Authors: Bierbaumer Sarah , Schmermund Luca , List Alexander , Winkler Christoph K. , Glueck Silvia M. , Kroutil Wolfgang 
Published: February 2022

AbstractThe concurrent operation of chemical and biocatalytic reactions in one pot is still a challenging task, and, in particular for chemical photocatalysts, examples besides simple cofactor recycling systems are rare. However, especially due to the complementary chemistry that the two fields of catalysis promote, their combination in one pot has the potential to unlock intriguing, unprecedented overall reactivities. Herein we demonstrate a concurrent biocatalytic reduction and photocatalytic oxidation process. Specifically, the enantioselective biocatalytic sulfoxide reduction using (S)‐selective methionine sulfoxide reductases was coupled to an unselective light‐dependent sulfoxidation. Protochlorophyllide was established as a new green photocatalyst for the sulfoxidation. Overall, a cyclic deracemization process to produce nonracemic sulfoxides was achieved and the target compounds were obtained with excellent conversions (up to 91 %) and superb optical purity (>99 % ee).
Enhancement of natural dyeing properties and UV resistance of silk fibers modified by phenylboronic acid/hydroxypropyl‐β‐cyclodextrin functionalized Fe3O4 particle
Authors: He Xuemei , Wu Chao , Meng Chaowei , Sun Long , Mao Haiyan , Cai Lu 
Published: February 2022

AbstractSilk fabrics with improved UV protection and natural dyeability were prepared by in‐situ deposition method, using 4‐carboxylphenylboronic acid (4‐CPBA) functionalized 2‐hydroxypropyl‐β‐cyclodextrin (HP‐β‐CD) covered magnetic Fe3O4 particles. The as‐prepared silk fabrics were characterized by FT‐IR, XRD, XPS, TG‐DSC, and SEM techniques. The ultraviolet resistance and dyeing properties with grape seed proanthocyanidin extract (GSPE) for silk fabrics under different dyeing conditions was discussed in detail. The results showed that the phenylboronic acid functionalized HP‐β‐CD covered Fe3O4 particle was deposited on the surface of silk fiber, enhancing the adsorption and fixation of GSPE, even in weak alkaline dyebath. PBA/HP‐β‐CD/Fe3O4 modified silk fiber surface exhibited the higher color strength (K/S) and UV protection factor (UPF) than those of untreated silk fabrics under different dyeing conditions due to specific recognition and adsorption of cis‐diol‐containing GSPE dyes. Moreover, modified silk fabric possessed good color fastness after 20 times of washing circles. This study is expected to provide a promising approach to achieve functional protection and dyeing of silk fabrics.
A Comprehensive Understanding of Interlayer Engineering in Layered Manganese and Vanadium Cathodes for Aqueous Zn‐Ion Batteries
Authors: Sun Qiangchao , Cheng Hongwei , Nie Wei , Lu Xionggang , Zhao Hongbin 
Published: February 2022

AbstractRechargeable aqueous zinc‐ion batteries (AZIBs) hold a budding technology for large‐scale stationary energy storage devices due to their inherent safety, cost‐effectiveness, eco‐friendliness, and acceptable electrochemical performance. However, developing a cathode material with fast kinetics and durable structural stability for Zn2+ intercalation is still an arduous challenge. Compared with other cathode materials, layered manganese/vanadium (Mn/V) oxides that feature merits of adjustable interlayer spacing and considerable specific capacity have attracted much interest in AZIBs. However, the intrinsic sluggish reaction kinetics, inferior electrical conductivity, and notorious dissolution of active materials still obstruct the realization of their full potentials. Interlayer engineering of pre‐intercalation is regarded as an effective solution to overcome these problems. In this review, we start from the crystal structure and reaction mechanism of layered Mn/V oxide cathodes to critical issues and recent progress in interlayer engineering. Finally, some future perspectives are outlined for the development of high‐performance AZIBs.
Gold nanourchin enhances detection of Alzheimer's disease biomarker “miRNA‐137” on dual electrode sensing surface
Authors: Pan Gaofeng , Ji Jinming , Li Shanshan , Wu Aimei 
Published: February 2022

AbstractDiagnosis of Alzheimer's disease (AD) is a complex task, and at present, neuroimaging such as magnetic resonance imaging and positron emission tomography is commonly used for the diagnosis of AD. This research work developed a new biosensing method with gold nanomaterial to identify AD biomarker of miRNA‐137. Gold nanourchin (GNU) was attached on the interdigitated electrode through the silane linker and COOH‐ended capture oligonucleotide was immobilized on the GNU surface. This surface helps to quantify the target sequence of miRNA‐137 and the detection limit reached to 0.01 pM on the linear range of 0.01–100 pM. With 3δ calculation on the linearity, the determination coefficient was noticed asy = 1.2867x − 2.2697;R2 = 0.9059. The control performances did not show a significant response, indicating the specific identification of target.
Assessing the predictive capabilities of design heuristics and coarse‐grain simulation toward understanding and optimizing site‐specific covalent immobilization of β‐lactamase
Authors: Soltani Mehran , Hunt John Porter , Smith Addison K. , Zhao Emily Long , Knotts Thomas A. , Bundy Bradley C. 
Published: February 2022

AbstractFor industrial applications, covalent immobilization of enzymes provides minimum leakage, recoverability, reusability, and high stability. Yet, the suitability of a given site on the enzyme for immobilization remains a trial‐and‐error procedure. Here, we investigate the reliability of design heuristics and a coarse‐grain molecular simulation in predicting the optimum sites for covalent immobilization of TEM‐1 β‐lactamase. We utilizedEscherichia coli‐lysate‐based cell‐free protein synthesis (CFPS) to produce variants containing a site‐specific incorporated unnatural amino acid with a unique moiety to facilitate site directed covalent immobilization. To constrain the number of potential immobilization sites, we investigated the predictive capability of several design heuristics. The suitability of immobilization sites was determined by analyzing expression yields, specific activity, immobilization efficiency, and stability of variants. These experimental findings are compared with coarse‐grain simulation of TEM‐1 domain stability and thermal stability and analyzed for a priori predictive capabilities. This work demonstrates that the design heuristics successfully identify a subset of locations for experimental validation. Specifically, the nucleotide following amber stop codon and domain stability correlate well with the expression yield and specific activity of the variants, respectively. Our approach highlights the advantages of combining coarse‐grain simulation and high‐throughput experimentation using CFPS to identify optimal enzyme immobilization sites.
Attachment and the therapeutic bond in a community mental health clinic: A pilot study
Authors: Bar‐El Juan , Gil Tsvi E. 
Published: February 2022

AbstractThis study explored attachment theory and related concepts as related to mental health treatment. While attachment has traditionally been conceived as a robust element of one's personality, its relationship to therapeutic relations has not been fully explored. In this study, we attempted to assess the relations between general attachment style, the specific attachment one creates with one's therapist and the therapeutic bond. The study took place in a public mental health clinic, in which several mental health workers provide treatment for patients with a wide array of diagnoses. Attachment to the therapists was generally higher (more secure) than personal habitual attachment style. No significant relations were found with therapeutic bonding. Avoidantly attached patients seem to weaken their habitual (avoidant) attachment in the therapeutic relationship more than anxiously attached patients do. Avoidant patients seem to be less avoidant when working with psychodynamic psychotherapists, while Cognitive Behavioural Therapy (CBT) therapists seem to be more suitable for anxious patients. These findings may bear far‐reaching implications concerning the nature of the therapeutic process, which may alter the patient's habitual attachment style. In other words, mental health treatment may affect the patients' modes of attachment. However, generalisability of the study is limited, mainly due to a small number of subjects and therapists, location of a single clinic, a single language of the questionnaires and limitations of the measurement tools.
Preliminary Studies on the Effect of Simulated Digestion on the Antioxidant Activity of Monoterpenes
Authors: Wojtunik‐Kulesza Karolina , Kasprzak‐Drozd Kamila 
Published: February 2022

AbstractOne of several possible ways of predicting substance bioactivity under in vivo conditions is through simulated studies based on conditions comparable to those within the organism. Having regards to pH and digestive enzymes, such an approach is through simulated digestion. Simulated studies allow gaining an understanding of physiological conditions and a prediction of compound behavior. The presented studies are based on simulated digestion (SD) to which selected monoterpenes (γ‐terpinene,α‐terpinene,α‐phellandrene, carvone, menthone, isopulegol,α‐pinene,β‐pinene, terpinene‐4‐ol, linalool, eucalyptol,p‐cymene, citral, citronellal) have been subjected. The procedure included changes pH (2.0 and 8.5) and digestive enzymes (pepsine in gastric stage and pancreatin in duodenal stage) to better understand what goes on within the gastro‐intestinal tract. The changes were observed for gastric and duodenal stages, as well as for two phases: oil and water. Obtained results revealed both positive and negative influence of gastrointestinal conditions on monoterpenes antioxidant activity. However, positive impact prevailed (γ‐terpinene, citral, eucalyptol, isopulegol,α‐pinene). The differentiation in activity can be explained by solubility in oil/water phases and the biotransformation of studied compounds.
Inhibiting Erastin‐Induced Ferroptotic Cell Death by Purine‐Based Chelators
Authors: Joshi Saurabh , Agarwal Saloni , Panjla Apurva , Valiyaveettil Suresh , Ganesh Subramaniam , Verma Sandeep 
Published: February 2022

AbstractFerroptosis is a cell death event caused by increased lipid peroxidation leading to iron‐dependent oxidative stress and is associated with a wide variety of diseases. In recent years, ferroptosis inhibition has emerged as a novel strategy to target different pathologies. Here, we report the synthesis of two purine derivatives, 1 and 2, for iron chelation strategy and evaluate their potency to inhibit erastin‐induced ferroptosis. Both compounds showed efficient iron chelation in solution as well as in cellular environment. The crystal structure of the purine derivatives with iron demonstrated a 2 : 1 (ligand to metal center) stoichiometry for iron and purine derivative complexation. The synthesized compounds also decrease the reactive oxygen species concentration in cell cultures. Compound 2 showed better potency towards the prevention of ferroptotic cell death as compared to commercially available iron chelator in the erastin‐induced ferroptosis cell culture model. Such purine analogues are potential functional scaffolds for the development of target molecules for ferroptosis inhibition.
Chemical Synthesis of the Fluorescent, Cyclic Dinucleotides cthGAMP
Authors: Veth Simon , Fuchs Adrian , Özdemir Dilara , Dialer Clemens , Drexler David Jan , Knechtel Fabian , Witte Gregor , Hopfner Karl‐Peter , Carell Thomas , Ploetz Evelyn 
Published: February 2022

AbstractThe cGAS‐STING pathway is known for its role in sensing cytosolic DNA introduced by a viral infection, bacterial invasion or tumorigenesis. Free DNA is recognized by the cyclic GMP‐AMP synthase (cGAS) catalyzing the production of 2’,3’‐cyclic guanosine monophosphate‐adenosine monophosphate (2’,3’‐cGAMP) in mammals. This cyclic dinucleotide acts as a second messenger, activating the stimulator of interferon genes (STING) that finally triggers the transcription of interferon genes and inflammatory cytokines. Due to the therapeutic potential of this pathway, both the production and the detection of cGAMP via fluorescent moieties for assay development is of great importance. Here, we introduce the paralleled synthetic access to the intrinsically fluorescent, cyclic dinucleotides 2’3’‐cthGAMP and 3’3’‐cthGAMP based on phosphoramidite and phosphate chemistry, adaptable for large scale synthesis. We examine their binding properties to murine and human STING and confirm biological activity including interferon induction by 2’3’‐cthGAMP in THP‐1 monocytes. Two‐photon imaging revealed successful cellular uptake of 2’3’‐cthGAMP in THP‐1 cells.
Stereoselective Biocatalyzed Reductions of Ginger Active Components Recovered from Industrial Wastes
Authors: Nasti Rita , Bassanini Ivan , Ferrandi Erica Elisa , Linguardo Federica , Bertuletti Susanna , Vanoni Marta , Riva Sergio , Verotta Luisella , Monti Daniela 
Published: February 2022

AbstractGinger is among the most widespread and widely consumed traditional medicinal plants around the world. Its beneficial effects, which comprise e. g. anticancer and anti‐inflammatory activities as well as gastrointestinal regulatory effects, are generally attributed to a family of non‐volatile compounds characterized by an arylalkyl long‐chained alcohol, diol, or ketone moiety. In this work, ginger active components have been successfully recovered from industrial waste biomass of fermented ginger. Moreover, their recovery has been combined with the first systematic study of the stereoselective reduction of gingerol‐like compounds by isolated alcohol dehydrogenases (ADHs), obtaining the enantioenrichedsec‐alcohol derivativesviaa sustainable biocatalytic path in up to >99 % conversions and >99 % enantiomeric/diastereomeric excesses.
Techno‐functional and nutritional properties of full‐bran and low‐bran canaryseed flour, and the effect of solvent‐de‐oiling on the proteins of low‐bran flour and isolates
Authors: Perera Suneru P. , Konieczny Dellaney , Ding Ke , Hucl Pierre , L'Hocine Lamia , Nickerson Michael T. 
Published: February 2022

AbstractBackground and ObjectivesThe differences in functional and nutritional properties of whole and white canaryseed flour obtained by roller milling was investigated in this study. Moreover, the effect of solventde‐oiling on the structural, functional, and nutritional properties of the canaryseed protein present in the white flour and derived protein‐isolates was also studied.FindingsThere was no significant difference between the protein content of whole (21.3%) and white (21.4%) canaryseed flours whereas, oil, ash, total starch, non‐starch carbohydrates, phytic acid, and total phenolic contents showed significant differences between whole and white canaryseed flours. Water and oil holding capacity and emulsifying capacity of whole seed flour were better than that of white flour whereas, emulsion and foaming stability, and foaming capacity were similar. The IVPDCAAS of white flour was 23%, was significantly lower than that of the whole seed flour (31.2%). Ethanol had a higher efficiency for canaryseed oil and phospholipid extraction than hexane. Linolenic acid and phosphatidylcholine were, respectively, the major fatty acid and phospholipid extracted by both ethanol and hexane. None of these solvents caused protein denaturation and showed a positive impact on certain functionalities. Canaryseed protein was found to be thermally stable, with a peak denaturation temperature of 108°C.ConclusionsWhole canaryseed flour showed better functionality and nutrition than white flour. The white flour, however, was found to be a more favorable starting material for protein fractionation. Solvent de‐oiling did not have a negative impact on canaryseed protein, which exhibited a high thermal stability.Significance and NoveltyThis study provides information on functional and nutritional properties of different value‐added protein products of canaryseed and on the effect of solvent de‐oiling on the protein quality. Such understanding is beneficial for the protein ingredient industry.
Molecular evidence of upper and lower respiratory infection due to Lophomonas in a post‐kidney transplantation patient
Authors: Fakhar Mahdi , Safanavaei Sepideh , Nakhaei Maryam , Esmaeili Samira , Banimostafavi Elham Sadat , Spahbodi Fatemeh , Sharifpour Ali 
Published: February 2022

AbstractWe report a case of lophomoniasis in a kidney post‐transplantation patient. The patient, 46‐year‐old man, had pneumonia, acute sinusitis, and tonsillitis on admission. We recommend that lophomoniasis should be essentially ruled out in all patients suffering from post‐transplantation infection, particularly in those who do not respond to routine antibiotic regimens.
Asymmetric Neutral‐alkaline Microbial Electrolysis Cells for Hydrogen Production
Authors: Dai Ling , Xiang Lijuan , Zhang Mengtian , Wen Zhenhai , Xu Qiuhua , Chen Kai , Zhao Zhifeng , Ci Suqin 
Published: February 2022

AbstractThe development of highly efficient cathodes for hydrogen production that can operate in a suitable pH condition is a daunting challenge in microbial electrolysis cells (MECs). Herein, an asymmetric neutral‐alkaline double‐chamber microbial electrolysis cells (AMECs) by using conventional carbon brush with microorganism attached as neutral anode and the Ru/CNTs electrode as alkaline cathode, respectively, was proposed. To implement this, a hybrid with ruthenium nanoparticles loaded on conductive carbon nanotubes (Ru/CNTs) was prepared by a reduction deposition method, which exhibited comparable electrocatalytic performance to the expensive benchmark Pt/C catalysts for hydrogen evolution reaction (HER). Compared to the traditional MECs running in symmetric neutral electrolyte, the as‐developed AMEC displayed a higher current density of 17.13 A m−2 and hydrogen production rate of 0.167 m3 m−2 d−1. The present AMEC provides an energy‐saving and cost‐effective process technology for electrolysis H2 generation.
Object Identification Technologies as Key Enabler for Circular Business Models‡
Authors: Treick Amy , Woidasky Jörg , Lang‐Koetz Claus 
Published: February 2022

AbstractThe implementation of Circular Business Models (CBMs) represents a key step for a successful transformation of the global economy towards circularity. The establishment of CBMs is therefore actively promoted and demanded by the European Commission according to the EU Circular Economy Action Plan 2020. To support their implementation, one of the basic building blocks is the application of innovative technologies that enable the analysis and control of material flows deriving the necessity of object identification and corresponding automatic identification (Auto‐ID) technologies. The verification of this statement is the research object of the study presented. Based on the results of two systematic literature reviews, the overall relevance of object identification in CBMs is confirmed. Additionally, the application potentials of certain Auto‐ID technologies are proposed.
Soluble ST2 in the prediction of heart failure and death in patients with atrial fibrillation
Authors: Krittayaphong Rungroj , Pumprueg Satchana , Sairat Poom 
Published: February 2022

AbstractBackgroundBiomarkers may be a useful marker for predicting heart failure (HF) or death in patients with atrial fibrillation (AF).HypothesisSoluble ST2 (sST2) may be a good biomarker for the prediction of HF or death in patients with AF.MethodsThis is a prospective study of patients with nonvalvular AF. Clinical outcomes were HF or death. Clinical and laboratory data were compared between those with and without clinical outcomes. Univariate and multivariate analysis was performed to determine whether sST2 is an independent predictor for heart failure or death in patients with nonvalvular AF.ResultsA total of 185 patients (mean age: 68.9 ± 11.0 years) were included, 116 (62.7%) were male. The average sST2 and N‐terminal pro‐brain natriuretic peptide (NT‐proBNP) levels were 31.3 ± 19.7 ng/ml and 2399.5 ± 6853.0 pg/ml, respectively. Best receiver operating characteristic (ROC) cut off of sST2 for predicting HF or death was 30.14 ng/ml. Seventy‐three (39.5%) patients had an sST2 level ≥30.14 ng/ml, and 112 (60.5%) had an sST2 level <30.14 ng/dl. The average follow‐up was 33.1 ± 6.6 months. Twenty‐nine (15.7%) patients died, and 33 (17.8%) developed HF during follow‐up. Multivariate analysis revealed that high sST2 to be an independent risk factor for death or HF with a HR and 95% CI of 2.60 (1.41–4.78). The predictive value of sST2 is better than NT‐proBNP, and it remained significant in AF patients irrespective of history of HF, and NT‐proBNP levels.ConclusionssST2 is an independent predictor of death or HF in patients with AF irrespective of history of HF or NT‐proBNP levels.
Assessment of Effects of Investigational TAK‐931, an Oral Cell Division Cycle 7 Kinase Inhibitor on the QTc Intervals in Patients With Advanced Solid Tumors
Authors: Zhou Xiaofei , Diderichsen Paul Matthias , Gupta Neeraj 
Published: February 2022

AbstractTAK‐931, a novel, selective, small‐molecule inhibitor of cell division cycle 7 has been investigated in multiple clinical trials in patients with advanced solid tumors. An integrated analysis using data from 2 clinical studies assessed effects of TAK‐931 on electrocardiogram QT intervals and heart rate (HR). Pharmacokinetic samples and matched triplicate electrocardiogram data were collected in 48 patients with cancer receiving oral administration of TAK‐931 50 or 80 mg once daily. The relationships between TAK‐931 plasma concentrations and the HR‐corrected QT interval via Fridericia (QTcF) or population (QTcP) and HR were analyzed using linear mixed‐effects models with fixed effects for day and time. At the geometric mean maximum TAK‐931 plasma concentrations after administration of 50 mg, an HR change of 3.40 beats per minute (90%CI, 1.86‐4.80) was predicted. Change in QTcF of −3.41 milliseconds (90%CI, −5.77 to −1.17) and QTcP of −2.02 milliseconds (90%CI, −4.15 to 0.0679) were estimated, indicating there was no effect of TAK‐931 on the QT intervals at a recommended phase 2 dose of 50 mg once daily for 14 days in a 21‐day cycle.