bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theranostic Nanomedicine for Synergistic Chemodynamic Therapy and Chemotherapy of Orthotopic Glioma
Authors: Tan Junyi , Duan Xiaohui , Zhang Fang , Ban Xiaohua , Mao Jiaji , Cao Minghui , Han Shisong , Shuai Xintao , Shen Jun 
Published: November 2020

AbstractGlioma is a common primary brain malignancy with a poor prognosis. Chemotherapy is the first‐line treatment for brain tumors but low efficiency of drugs in crossing the blood–brain barrier (BBB) and drug resistance related to tumor hypoxia thwart its efficacy. Herein, a theranostic nanodrug (iRPPA@TMZ/MnO) is developed by incorporating oleic acid‐modified manganese oxide (MnO) and temozolomide (TMZ) into a polyethylene glycol‐poly(2‐(diisopropylamino)ethyl methacrylate‐based polymeric micelle containing internalizing arginine‐glycine‐aspartic acid (iRGD). The presence of iRGD provides the nanodrug with a high capacity of crossing the BBB and penetrating the tumor tissue. After accumulation in glioma, the nanodrug responds to the tumor microenvironment to simultaneously release TMZ, Mn2+, and O2. The released TMZ induces tumor cell apoptosis and the released Mn2+ causes intracellular oxidative stress that kill tumor cells via a Fenton‐like reaction. The O2 produced in situ alleviates tumor hypoxia and enhances the chemotherapy/chemodynamic therapeutic effects against glioma. The Mn2+ can also serve as a magnetic resonance imaging (MRI) contrast agent for tumor imaging during therapy. The study demonstrates the great potential of this multifunctional nanodrug for MRI‐visible therapy of brain glioma.
Review: Detection of patient foramen ovale using transcranial Doppler or standard echocardiography
Authors: Van der Giessen Hanna , Wilson Luke C , Coffey Sean , Whalley Gillian A 
Published: November 2020

AbstractA patent foramen ovale (PFO) is a common remnant of fetal circulation present in up to 25% of the worldwide adult population. Paradoxical embolism occurs when venous blood crosses the PFO into the arterial system, bypassing the pulmonary circulation. This allows for the direct passage of microemboli into cerebral blood vessels, increasing the risk of cryptogenic stroke. This review investigates the current diagnostic procedures used to detect and grade a PFO, including transthoracic echocardiography (TTE), transoesophageal echocardiography (TOE) and transcranial Doppler (TCD). Only a few studies have directly compared the use of TTE with TCD for PFO detection but several have compared TTE and TCD independently against the clinical gold standard TOE. Known pitfalls of TTE and TCD are also discussed, including the difficulty of differentiating between intracardiac shunts and intrapulmonary shunts. This review also discusses methods to optimise imaging, such as performing an adequate Valsalva manoeuvre, the role of abdominal compression and the choice of the injection site for the contrast agent and how these may increase the diagnostic success of detecting a right‐to‐left shunt when prompted by a clinician.
Light‐Powered Autonomous Flagella‐Like Motion of Molecular Crystal Microwires
Authors: Tong Fei , Kitagawa Daichi , Bushnak Ibraheem , Al‐Kaysi Rabih O. , Bardeen Christopher J. 
Published: November 2020

AbstractThe ability to exhibit life‐like oscillatory motion fueled by light represents a new capability for stimuli‐responsive materials. Although this capability has been demonstrated in soft materials like polymers, it has never been observed in molecular crystals, which are not generally regarded as dynamic objects. In this work, it is shown that molecular crystalline microwires composed of (Z)‐2‐(3‐(anthracen‐9‐yl)allylidene)malononitrile ((Z)‐DVAM) can be continuously actuated when exposed to a combination of ultraviolet and visible light. The photo‐induced motion mimics the oscillatory behavior of biological flagella and enables propagation of microwires across a surface and through liquids, with translational speeds up to 7 μm s−1. This is the first example of molecular crystals that show complex oscillatory behavior under continuous irradiation. A model that relates the rotation of the transition dipole moment between reversible E→Z photoisomerization to the microscopic torque can qualitatively reproduce how the rotational frequency depends on light intensity and polarization.
Induction of Chirality in a Metal–Organic Framework Built from Achiral Precursors
Authors: Wu Dong , Zhou Kang , Tian Jindou , Liu Caiping , Tian Jiayue , Jiang Feilong , Yuan Daqiang , Zhang Jian , Chen Qihui , Hong Maochun 
Published: November 2020

AbstractInduction of chirality from an achiral assembly system remains a huge challenge related to the origin of life. Here, induction of chirality in a metal–organic framework (MOF) built from achiral precursors has been realized. Assembling achiral H3BTB ligands and ZnII/CdII clusters leads to a 2D coordination polymer (FJI‐H16), while introduction of achiral pyridine into such assembly system leads to a 3D chiral MOF (FJI‐H27 (M) or (P)). The driven force for chiral generation has been proved to be a pyridine participated kinetic‐control assembly process, which can be controlled by changing the amount of pyridine and temperature, from no induction to partial induction to complete induction. The chiral generation process has been identified in detail through a pyridine‐involved key intermediate (FJI‐H28). The targeted modification of pyridine can selectively lead to FJI‐H27 (M) or FJI‐H27 (P), making the chiral orientation and distribution of bulk FJI‐H27 samples can be controlled. Our work not only represents a new chiral induction process that may relate to the chiral origin in nature, but also firstly reveals how achiral external stimuli generate chirality from achiral precursors, and offers a guide for rational preparation of chiral MOFs.
An Efficient Conjugation Approach for Coupling Drugs to Native Antibodies via the PtIILinkerLxfor Improved Manufacturability of Antibody–Drug Conjugates
Authors: Merkul Eugen , Muns Joey A. , Sijbrandi Niels J. , Houthoff Hendrik‐Jan , Nijmeijer Bart , van Rheenen Gerro , Reedijk Jan , van Dongen Guus A. M. S. 
Published: November 2020

AbstractThe PtIIlinker [ethylenediamineplatinum(II)]2+, coined Lx, has emerged as a novel non‐conventional approach to antibody–drug conjugates (ADCs) and has shown its potential in preclinical in vitro and in vivo benchmark studies. A crucial improvement of the Lx conjugation reaction from initially <15 % to ca. 75–90 % conjugation efficiency is described, resulting from a systematic screening of all relevant reaction parameters. NaI, a strikingly simple inorganic salt additive, greatly improves the conjugation efficiency as well as the conjugation selectivity simply by exchanging the leaving chloride ligand on Cl‐Lx‐drug complexes (which are direct precursors for Lx‐ADCs) for iodide, thus generating I‐Lx‐drug complexes as more reactive species. Using this iodide effect, we developed a general and highly practical conjugation procedure that is scalable: our lead Lx‐ADC was produced on a 5 g scale with an outstanding conjugation efficiency of 89 %.
Identification of new IDH2R140Q inhibitors by discriminatory analysis‐based molecular docking and biological evaluation
Authors: Chen Xiaoyun , Wu Xianmin , Gao Jian , Ying Huazhou , Dong Xiaowu , Che Jinxin , Shen Zhijian 
Published: November 2020

AbstractIsocitrate dehydrogenase 2 (IDH2) is a key enzyme in the regulation of cell metabolism. Its mutated type can lead to the accumulation of 2‐hydroxyglutarate, which is often related to malignancies such as acute myeloid leukemia. Therefore, it is necessary to find new inhibitors targeting mutant IDH2. Discriminatory analysis‐based molecular docking was employed to screen the ChemDiv compound library, which resulted in the identification of three new IDH2R140Q inhibitors with moderate‐to‐good IC50 values. Among them, compounds 1 and 3 displayed good selectivity against other mutant or wild‐type IDH proteins. The most potent compound 1, bearing the [1,2,4]triazolo[1,5‐a]pyrimidin scaffold, was subjected to dynamic simulations to provide more information on the binding mode with IDH2R140Q, providing structural clues to further optimize compound 1 as a new mutant IDH2 inhibitor.
Lösung nichtlinearer Optimierungsaufgaben im Bauingenieurwesen
Authors: Tabarelli Simon 
Published: November 2020

AbstractIn Zeiten, in denen der Klimawandel und der Naturschutz allgegenwärtige Themen sind, muss sich das Bauwesen die Frage stellen, durch welche Maßnahmen die Bauwerke der Zukunft ressourcenschonend und nachhaltig gebaut werden können. In dieser Hinsicht besitzen einige Disziplinen des Bauingenieurwesens, wie bspw. die Bauphysik und die Materialforschung, offensichtliches Optimierungspotenzial. Der konstruktive Ingenieurbau besitzt bei dem Entwurf und der Bemessung von Tragwerken ebenfalls ein großes Potenzial zur Optimierung, allerdings sind hier die Optimierungsmethoden hochgradig nichtlinear, komplex und zeitintensiv, weshalb sie nur selten angewendet werden. An dieser Problemstellung setzt eine neu entwickelte Methode zur Visualisierung und Verifizierung von Optimierungsergebnissen an. Die Visualisierung liefert durch die räumliche Darstellung nichtlinearer Zusammenhänge Erkenntnisse, die bei der Einordnung und Verifizierung von Optimierungsergebnissen helfen. Die neue Methode wurde anhand von Benchmark‐Testproblemen getestet und erweist sich als leistungsstarkes Tool zur schnelleren und unkomplizierteren Lösung von nichtlinearen Optimierungsproblemen.
A rapid, simple and ultrasensitive spectrofluorimetric method for the direct detection of metformin in real samples based on a nanoquenching approach
Authors: Azarian Sina , Shaghaghi Masoomeh , Dehghan Gholamreza , Sheibani Nader 
Published: November 2020

AbstractMetformin (MET), as an oral antidiabetic and antihyperglycemic agent, is widely used to treat type II diabetes mellitus. Because of its increasing consumption, developing a fast, simple, and selective method to determine its concentration in biological samples (serum and urine) and pharmaceutical formulations (tablets) is of great interest. In this study, we used a FRET‐based fluorescent nanosensor (Tb–phen–AgNPs system) for sensitive detection of MET in tablet and serum samples. This method is based on the enhancing effect of MET on the emission intensity of the Tb–phen complex, which is quenched by AgNPs via energy transfer process (turn off–on mode). A good linear relationship between the MET concentration and enhanced emission intensity of the Tb–phen–AgNPs system was observed in the range of (0.75–3.7) × 10−6 M under optimum conditions. Limit of detection and limit of quantitation were calculated to be 0.43 × 10−6 M and 1.31 × 10−6 M, respectively. This method was successfully used to determine MET concentrations in pharmaceutical dosage form and in spiked serum sample. The obtained recoveries from pharmaceutical formulation and serum sample were in the range 86.75–98.97% and 85.10–100.96%, respectively. Collectively, our results indicated that the method described here is simple, sensitive, cost effective, and free from interference. Therefore, it can be used as an effective and routine method for the direct and rapid determination of MET levels in biological samples such as serum.
Toward a personology of green consumers: An application of personal projects
Authors: Valor Carmen , Martínez‐de‐Ibarreta Carlos 
Published: November 2020

AbstractWith the aim of enriching the personology of green consumption, this paper draws from a social constructionist view of identity to propose the construct of personal projects as an adequate analytical unit for the study of green identity to explain the adoption of sustainable lifestyles. Using the personal project analysis methodology in a study with 103 adults and 510 personal projects, the current paper examines the thematic structure of personal projects that are more strongly associated with the adoption of sustainable consumption (SC); in addition, this study tests the mediating role of personal projects in the relationship between self‐transcendence values and SC and the moderation of project manageability in the relationship between personal projects and SC. The results show that the formulation of sustainable personal projects is significantly associated with the adoption of SC and that personal projects mediate the relationship between self‐transcendence values and SC. The results also suggest the moderating role of stressfulness. The paper shows the potential of personal projects as an analytical construct with which to study green consumers' identity.
Engineering the Next Generation of Matched Models for Chemical Translational Biology
Authors: Downes Daniel P. 
Published: November 2020

AbstractIn order to achieve patient personalization and translate compounds through the discovery phase into the clinic, high throughput test models should be designed to be as closely matched to the patient as possible. Engineering high throughput and physiologically relevant biological models is the idealized scenario for testing next generation modulators. I present here a cautionary example of a misaligned model as well as my viewpoint on how overcoming this bottleneck is one of the next frontiers in chemical biology.
Site‐Directed Mutagenesis of Modular Polyketide Synthase Ketoreductase Domains for Altered Stereochemical Control
Authors: Drufva Erin E. , Spengler Nolan R. , Hix Elijah G. , Bailey Constance B. 
Published: November 2020

AbstractBacterial modular type I polyketide synthases (PKSs) are complex multidomain assembly line proteins that produce a range of pharmaceutically relevant molecules with a high degree of stereochemical control. Due to their colinear properties, they have been considerable targets for rational biosynthetic pathway engineering. Among the domains harbored within these complex assembly lines, ketoreductase (KR) domains have been extensively studied with the goal of altering their stereoselectivity by site‐directed mutagenesis, as they confer much of the stereochemical complexity present in pharmaceutically active reduced polyketide scaffolds. Here we review all efforts to date to perform site‐directed mutagenesis on PKS KRs, most of which have been done in the context of excised KR domains on model diffusible substrates such as β‐keto N‐acetyl cysteamine thioesters. We also discuss the challenges around translating the findings of these studies to alter stereocontrol in the context of a complex multidomain enzymatic assembly line.
Urea Derivatives as Functional Molecules: Supramolecular Capsules, Supramolecular Polymers, Supramolecular Gels, Artificial Hosts, and Catalysts
Authors: Yokoya Masashi , Kimura Shinya , Yamanaka Masamichi 
Published: November 2020

AbstractUrea, which has both hydrogen bond acceptor and donor moieties, is an ideal structure for a supramolecular synthon. Various supramolecules having ureido group(s) have been widely developed. This article summarizes recent developments of urea derivatives that exhibit various functions: i) supramolecular capsules that form discrete urea–urea intermolecular hydrogen bonds, ii) supramolecular polymers that form continuous urea–urea intermolecular hydrogen bonds, iii) supramolecular gels that form continuous urea–urea intermolecular hydrogen bonds, iv) artificial host molecules based on the molecular recognition ability of the ureido group, and v) catalytic reactions developed by utilizing the molecular recognition ability of the ureido group.
Einfluss der Wechselwirkung von Reaktion und Fluiddynamik auf das Verhalten von Strahlschlaufenreaktoren
Authors: Bey Oliver , von Harbou Erik 
Published: November 2020

AbstractStrahlschlaufenreaktoren werden als Apparate für die Umsetzung chemischer bzw. biologischer Reaktionen eingesetzt. Kennzeichen dieser Apparateform ist eine interne Zirkulationsströmung, im Wesentlichen angetrieben durch das Eindüsen von Flüssigkeit. Die Düse kann zudem zum Eintragen und Dispergieren von Gas verwendet werden. Die interne Fluiddynamik und damit das Reaktorverhalten wird signifikant durch den eingetragenen Impuls und durch die interne Gasverteilung bestimmt. Um den wechselseitigen Einfluss einer gasverbrauchenden Reaktion und der internen Fluiddynamik zu beschreiben, wurde ein vereinfachtes Modell, basierend auf einer Impulsstrombilanz und einer Materialbilanz, verwendet. Aus den exemplarischen Rechnungen ergibt sich ein kritischer Bereich für unselektive Reaktionen und für die fluiddynamische Stabilität.
Oberflächenchemie von Nanopartikeln
Authors: Schubert Ulrich 
Published: November 2020

ZusammenfassungAtome auf der Oberfläche eines Festkörpers haben, da sie unterkoordiniert sind, andere Eigenschaften als jene im Inneren. Wegen des hohen Anteils an Oberflächenatomen sind deren Auswirkungen auf die Eigenschaften von Nanopartikeln nicht mehr zu vernachlässigen. Zur Erniedrigung der Oberflächenenergie können Nanopartikel mit einer schützenden Hülle an Oberflächengruppen (Liganden) umgeben werden. Diese stabilisiert nicht nur die Nanostrukturen und begrenzt ihr Wachstum, sondern hat auch großen Einfluss auf deren Elektronenstruktur sowie strukturelle und physikalische Eigenschaften. Hand in Hand mit einem besseren Verständnis der Oberflächenchemie von Nanopartikeln geht auch die Entwicklung von Methoden, die Ligandenhülle zielgerichtet aufzubauen und zu modifizieren.
Unique Dynamics of Water Confined on the Surface of Metal Oxide Clusters
Authors: Cai Linkun , Lai Yuyan , Yin Panchao 
Published: November 2020

AbstractWater confined on metal oxide surface plays significant roles in heterogeneous catalysis. Heteropolyacid, a 1.2 nm‐metal oxide cluster with well‐defined structure, is applied as a model to understand the dynamics of water on its surface. The surface water strongly associates with heteropolyacid cluster and form the so‐called ‘pseudoliquid phase’ where catalytic reactions are conducted. Broadband dielectric spectroscopy and diﬀerential scanning calorimetry have been applied to probe the dynamics of water in this pseudoliquid phase. A supercooling phase transition of water below its normal melting temperature and a dipolar glassy relaxation behaviour due to the hindered dynamics of water have been observed. The rich dynamic behavior on the surface of such well‐defined metal clusters provide new perspectives to understand the properties of surface water and their relation to catalytic performance of heteropolyacid.
The normalized segment classification model: A new tool to compare spectral reflectance curves
Authors: Rodríguez‐Gironés Miguel Angel , Telles Francismeire Jane 
Published: November 2020

Abstract

Color patterns are complex traits under selective pressures from conspecifics, mutualists, and antagonists. To evaluate the salience of a pattern or the similarity between colors, several visual models are available. Color discrimination models estimate the perceptual difference between any two colors. Their application to a diversity of taxonomic groups has become common in the literature to answer behavioral, ecological, and evolutionary questions. To use these models, we need information about the visual system of our beholder species. However, many color patterns are simultaneously subject to selective pressures from different species, often from different taxonomic groups, with different visual systems. Furthermore, we lack information about the visual system of many species, leading ecologists to use surrogate values or theoretical estimates for model parameters.

Here, we present a modification of the segment classification method proposed by Endler (Biological Journal of the Linnean Society, 1990 41, 315–352): the normalized segment classification model (NSC). We explain its logic and use, exploring how NSC differs from other visual models. We also compare its predictions with available experimental data.

Even though the NSC model includes no information about the visual system of the receiver species, it performed better than traditional color discrimination models when predicting the output of some behavioral tasks. Although vision scientists define color as independent of stimulus brightness, a likely explanation for the goodness of fit of the NSC model is that its distance measure depends on brightness differences, and achromatic information can influence the decision‐making process of animals when chromatic information is missing.

Species‐specific models may be insufficient for the study of color patterns in a community context. The NSC model offers a species‐independent solution for color analyses, allowing us to calculate color differences when we ignore the intended viewer of a signal or when different species impose selective pressures on the signal.
Local and regional variation in effects of burrowing crabs on plant community structure
Authors: Walker Janet B. , Rinehart Shelby A. , White Wendi K. , Grosholz Edwin D. , Long Jeremy D. 
Published: November 2020

AbstractBurrowing animals can profoundly influence the structure of surrounding communities, as well as the performance of individual species. Changes in the community structure of burrowing animals or plants together with changing abiotic parameters could shift the influence of burrowers on surrounding habitats. For example, prior studies in salt marshes suggest that fiddler crabs stimulate cordgrass production, but leaf‐grazing crabs suppress cordgrass production. Unfortunately, testing this prediction and others are impeded because few studies have examined crab impacts on the plant community and across multiple sites, multiple years, or both. This challenges our ability to predict how burrowing animals will influence plant community structure, and when and where these impacts will occur. We manipulated the densities of the dominant burrowing crabs in plant assemblages dominated by Pacific cordgrass (Spartina foliosa) and perennial pickleweed (Sarcocornia pacifica) at three sites in southern California for three years (2016, 2017, 2018). Crab impacts on plant community structure differed among each of our three sites. In contrast to our predictions, (1) leaf‐grazing crabs (Pachygrapsus crassipes) had positive effects on cordgrass cover at one site and no effect on cordgrass production at a nearby site in the same marsh and (2) fiddler crabs (Uca crenulata) did not stimulate cordgrass production at another marsh. Because crabs affected traits of cordgrass, but not pickleweed, in the direction consistent with changes in cordgrass cover, we propose that marsh‐specific crab effects on community structure were largely mediated through changes in cordgrass, as opposed to pickleweed. Importantly, crabs facilitated cordgrass during marsh‐wide cordgrass loss, suggesting that crabs may mitigate environmental stress for this ecologically important plant. Because cordgrass abundance can be a critical measure of marsh functioning and is often a restoration target, we suggest that managing cordgrass populations would benefit from additional information about crab populations and their impacts among years, and among and within marshes.