bluuebunny/crossref_metadata_2025 huggingface dataset:
Elevated brain-derived cell-free DNA among patients with first psychotic episode – a proof-of-concept study
Authors: Lubotzky Asael , Pelov Ilana , Teplitz Ronen , Neiman Daniel , Smadja Adama , Zemmour Hai , Piyanzin Sheina , Ochana Bracha-Lea , Spalding Kirsty L , Glaser Benjamin , Shemer Ruth , Dor Yuval , Kohn Yoav
Published: June 2022

Schizophrenia is a common, severe, and debilitating psychiatric disorder. Despite extensive research there is as yet no biological marker that can aid in its diagnosis and course prediction. This precludes early detection and intervention. Imaging studies suggest brain volume loss around the onset and over the first few years of schizophrenia, and apoptosis has been proposed as the underlying mechanism. Cell-free DNA (cfDNA) fragments are released into the bloodstream following cell death. Tissue-specific methylation patterns allow the identification of the tissue origins of cfDNA. We developed a cocktail of brain-specific DNA methylation markers, and used it to assess the presence of brain-derived cfDNA in the plasma of patients with a first psychotic episode. We detected significantly elevated neuron- (p=0.0013), astrocyte- (p=0.0016), oligodendrocyte- (p=0.0129), and whole brain-derived (p=0.0012) cfDNA in the plasma of patients during their first psychotic episode (n=29), compared with healthy controls (n=31). Increased cfDNA levels were not correlated with psychotropic medications use. Area under the curve (AUC) was 0.77, with 65% sensitivity at 90% specificity in patients with a psychotic episode. Potential interpretations of these findings include increased brain cell death, disruption of the blood-brain barrier, or a defect in clearance of material from dying brain cells. Brain-specific cfDNA methylation markers can potentially assist early detection and monitoring of schizophrenia and thus allow early intervention and adequate therapy.
Inferring characteristics of bacterial swimming in biofilm matrix from time-lapse confocal laser scanning microscopy
Authors: Ravel Guillaume , Bergmann Michel , Trubuil Alain , Deschamps Julien , Briandet Romain , Labarthe Simon
Published: June 2022

Biofilms are spatially organized communities of microorganisms embedded in a self-produced organic matrix, conferring to the population emerging properties such as an increased tolerance to the action of antimicrobials. It was shown that some bacilli were able to swim in the exogenous matrix of pathogenic biofilms and to counterbalance these properties. Swimming bacteria can deliver antimicrobial agents in situ, or potentiate the activity of antimicrobial by creating a transient vascularization network in the matrix. Hence, characterizing swimmer trajectories in the biofilm matrix is of particular interest to understand and optimize this new biocontrol strategy in particular, but also more generally to decipher ecological drivers of population spatial structure in natural biofilms ecosystems. In this study, a new methodology is developed to analyze time-lapse confocal laser scanning images to describe and compare the swimming trajectories of bacilli swimmers populations and their adaptations to the biofilm structure. The method is based on the inference of a kinetic model of swimmer populations including mechanistic interactions with the host biofilm. After validation on synthetic data, the methodology is implemented on images of three different species of motile bacillus species swimming in a Staphylococcus aureus biofilm. The fitted model allows to stratify the swimmer populations by their swimming behavior and provides insights into the mechanisms deployed by the micro-swimmers to adapt their swimming traits to the biofilm matrix.
Functional abnormalities in the cerebello-thalamic pathways in a mouse model of DYT25 dystonia
Authors: Aïssa Hind Baba , Sala Romain W , Georgescu Margarint Elena Laura , Frontera Jimena Laura , Varani Andrés Pablo , Menardy Fabien , Pelosi Assunta , Hervé Denis , Léna Clément , Popa Daniela
Published: June 2022

Dystonia is often associated with functional alterations in the cerebello-thalamic pathways, which have been proposed to contribute to the disorder by propagating pathological firing patterns to the forebrain. Here, we examined the function of the cerebello-thalamic pathways in a model of DYT25 dystonia. DYT25 (Gnal+/−) mice carry a heterozygous knockout mutation of the Gnal gene, which notably disrupts striatal function, and systemic or striatal administration of oxotremorine to these mice triggers dystonic symptoms. Our results reveal an increased cerebello-thalamic excitability in the presymptomatic state. Following the first dystonic episode, Gnal+/- mice in the asymptomatic state exhibit a further increase of the cerebello-thalamo-cortical excitability, which is maintained after θ-burst stimulations of the cerebellum. When administered in the symptomatic state induced by a cholinergic activation, these stimulations decreased the cerebello-thalamic excitability and reduced dystonic symptoms. In agreement with dystonia being a multiregional circuit disorder, our results suggest that the increased cerebello-thalamic excitability constitutes an early endophenotype, and that the cerebellum is a gateway for corrective therapies via the depression of cerebello-thalamic pathways.
AntiDMPpred: a web service for identifying anti-diabetic peptides
Authors: Chen Xue , Huang Jian , He Bifang
Published: June 2022

Diabetes mellitus (DM) is a chronic metabolic disease that has been a major threat to human health globally, causing great economic and social adversities. The oral administration of anti-diabetic peptide drugs has become a novel route for diabetes therapy. Numerous bioactive peptides have demonstrated potential anti-diabetic properties and are promising as alternative treatment measures to prevent and manage diabetes. The computational prediction of anti-diabetic peptides can help promote peptide-based drug discovery in the process of searching newly effective therapeutic peptide agents for diabetes treatment. Here, we resorted to random forest to develop a computational model, named AntiDMPpred, for predicting anti-diabetic peptides. A benchmark dataset with 236 anti-diabetic and 236 non-anti-diabetic peptides was first constructed. Four types of sequence-derived descriptors were used to represent the peptide sequences. We then combined four machine learning methods and six feature scoring methods to select the non-redundant features, which were fed into diverse machine learning classifiers to train the models. Experimental results show that AntiDMPpred reached an accuracy of 77.12% and area under the receiver operating curve (AUCROC) of 0.8193 in the nested five-fold cross-validation, yielding a satisfactory performance and surpassing other classifiers implemented in the study. The web service is freely accessible at http://i.uestc.edu.cn/AntiDMPpred/cgi-bin/AntiDMPpred.pl. We hope AntiDMPpred could improve the discovery of anti-diabetic bioactive peptides.
Acidification does not alter the stable isotope composition of bone collagen
Authors: Wilson Tess , Szpak Paul
Published: June 2022

In this study, we compared the elemental and isotopic composition of modern and ancient bone samples pre-treated using different demineralization agents with acidic and neutral pH. The purpose of our research was to examine if demineralization using a mineral acid such as hydrochloric acid (HCl) significantly alters the δ15N and δ13C values of bone collagen. Evidence from the elemental and amino acid composition of the samples were incorporated alongside isotopic compositions to provide a holistic view of the effect of demineralization agents on the composition of bone collagen. The stable isotope compositions of collagen extracts were also compared against equivalent whole bone samples to assess whether whole bone has a stable isotope composition that is comparable to collagen demineralized with a neutral agent. Our results demonstrate that bone demineralization using either ethylenediaminetetraacetic acid (EDTA) or HCl yields collagen extracts with stable isotope compositions that are not significantly different, indicating that mineral acid does not alter δ15N and δ13C values of bone collagen. The results comparing whole bone and extracted collagen stable isotope compositions indicate that whole bone cannot be used as an effective replacement for bone collagen due to the significantly different stable isotope compositions between these sample materials. In ecological and archaeological studies performing stable isotope analysis on bone, sample pre-treatment to isolate collagen is a necessity to obtain the most reliable and reproducible isotopic measurements.
Body mass index and postoperative mortality in patients undergoing coronary artery bypass graft surgery plus valve replacement: a retrospective cohort study
Authors: Dai Chun , Xu Hongbo , Chu Tianshu , Cao Boyang , Ge Jianjun
Published: June 2022

Background

The relationship between body mass index (BMI) and postoperative mortality in patients who undergo coronary artery bypass graft (CABG) surgery plus valve replacement is uncertain. We aimed to investigate the association between body mass index (BMI) and postoperative mortality among patients who simultaneously underwent both CABG surgery plus valve replacement.

Methods

We retrospectively analyzed 1976 patients who underwent CABG surgery at our hospital between January 2017 and April 2021, including 202 patients who underwent valve replacement surgery during the same period. We analyzed the relationship between BMI and postoperative mortality. The relationship between BMI and postoperative mortality was assessed using smooth curve fitting and a Multiple logistic regression model.

Results

The results of smoothing curve fitting showed that BMI and postoperative mortality had a non-linear relationship, and the resulting curve exhibited a two-stage change and a breakpoint. Postoperative mortality is higher in patients that have a body mass index above 25 kg/m2compared to patients having a body mass index between 18 and 25 kg/m2.

Conclusions

Our study found a non-linear relationship between BMI and postoperative mortality in patients undergoing CABG plus valve replacement after adjusting for potential confounders. The causal relationship between BMI and postoperative mortality still requires further investigations.
Evaluation of the Effect of Titanium Dioxide and Silicon Dioxide Nanoparticles on Impact Strength of Two Commercially Available Heat Cure Acrylic Resins
Authors: Sharma Aparana , Hasti Anurag , Choudhary Ashish , Chopra Megha , Vikram Jay , Srivastava Pooja
Published: June 2022

Introduction: Poor mechanical properties are among the main limitations of denture base resin. There has been a continuous attempt to improve the mechanical properties of denture base resins. Nanotechnology has evolved health care industry to a large scale and its applications are a boon to modern medicine and dental science. Nanoparticles are nowadays, extensively used in prosthodontics as they are incorporated in Polymethyl Methacrylate denture bases to alter the properties such as impact strength. Aim: To evaluate and compare the effect of titanium dioxide and silicon dioxide nanoparticles on impact strength of two commercially available heat cure acrylic resins. Materials and Methods: The in-vitro study was conducted in Department of Prosthodontics and Crown and Bridge, School of Dental Sciences, Sharda University Faridabad, Haryana, India between April 2019 to May 2021, that involved 120 samples. Materials compared were Dental Products of India (DPI) heat cure acrylic and Trevalon heat cure acrylic. Each group was further categorized into four groups to measure the impact strength i.e, without incorporation of nanoparticles and with incorporation of nanoparticles SiO2 and TiO2 and a combination of both. Samples obtained were tested for impact strength using Izod method. Statistical analysis was done using a one-way Analysis of Variance (ANOVA), Student’s t-test and Post-hoc Bonferroni test. Results: In the two types of materials studied, the mean impact strength of Trevalon was statistically significantly higher (p-value= 0.045) than DPI. After the addition of nanoparticles, i.e; SiO2 and TiO2 the mean impact strength was higher in Trevalon (8.66 kJ/m2 without the addition of nanoparticles, 5.79 kJ/m2 addition of 1% TiO2 nanoparticles, 5.77 kJ/m2 addition of 1% SiO2 nanoparticles and 5.75 kJ/m2 when a 1% combination of both the above was added) than DPI (7.19 kJ/m2 without the addition of nanoparticles, 5.86 kJ/m2 - addition of 1% TiO2 nanoparticles, 5.77 kJ/m2 addition of 1% SiO2 nanoparticles and 5.66 kJ/m2 when a 1% combination of both the above was incorporated). Conclusion: Mean Impact strength of Trevalon was higher than mean impact strength of DPI. Incorporation of TiO2 , SiO2 Nanoparticles or in combination decreases impact strength of both the commercially available heat cure denture base resin with statistically no significant difference.
Prevalence and Risk Factors of Urinary Schistosomiasis among School-Aged Children in Devego Sub-Municipal, Ketu North Municipality, Volta Region, Ghana
Authors: Kankpetinge Christopher , Tekpor David , Dongdem Anthony Zunuo , Frimpong Kwasi , Odonkor Stephen
Published: June 2022

Background: Schistosomiasis affects an estimated 250 million people worldwide, with 200,000 people dying each year. Despite success in managing the disease, data on its prevalence in non-endemic areas is rare. This study assessed the prevalence and risk factors of urogenital schistosomiasis among people in the Devego sub-municipality of the Ketu North Municipal Volta region, Ghana.

Methods: A cross-sectional study design was conducted among 335 respondents. Data was collected using a semi-structured questionnaire. Urine samples were examined microscopically to identify S. haematobium ova. Categorical data was analyzed and presented as percentages or frequencies. Means, medians and standard deviations were used to summarize the continuous variables. Chi-square/Fishers Exact test was used to determine the associations between the independent and dependent variables and considered significant if P-value was less than 0.05.

Results: The study found 34.6% (116/335) prevalence rate of urinary schistosomiasis among the 335 participants studied. The prevalence rate was 58.6% (68/116) in male respondents and 41.4% (48/116) among female respondents. Respondents aged 11-15 years recorded the highest (41.4%) prevalence. Major risk factors associated with urinary schistosomiasis were; swimming, fetching of water, bathing and washing of cloths ((X2=21.207, P-value < .02); frequency of exposure to fresh water (X2 = 14.684, P = .005, CL = 95%).

Conclusion: Urinary schistosomiasis is common in remote communities with fresh water sources. Chemoprevention should be extended to schistosomiasis non-endemic communities with fresh water sources.
Percutaneous Release of Trigger Finger
Authors: Elfiky Ahmed Samir , Romeih Mohamed Abd El Hamed , Mougahed Abdel Hafez Abd El Hafez , Gharbo Nabil Omar
Published: June 2022

Background: Trigger finger (sometimes referred to as stenosing tenosynovitis) is a mechanical impingement of the hand's flexor tendon. This ailment is a frequent source of hand pain, discomfort, and impairment, since it may reduce the afflicted finger's range of motion. This research seeks to investigate the outcomes of surgical release of trigger finger by percutaneous method.

Methods: This prospective study that included 21 adult patients aged > 16 years and diagnosed by clinical assessment by percutaneous release of A1 pulley of the diseased finger with history of triggering for at least 3 months and failure of previous conservative treatments. Each case was followed up for 6 weeks after enrolment.

Results: Excellent outcomes were significantly increased in cases with one finger affection than cases with multi finger affection (P =0.025). There was no significant variance in the outcomes among patients with right and left sided hands. Patients with excellent outcome had shorter duration of symptoms than patients with good and poor outcomes (P =0.032).

Conclusions: Excellent outcomes were significantly increased in cases with office work than cases with manual work and in patients with one finger affection than patients with multi finger affection.
A phase space model of a Versa HD linear accelerator for application to Monte Carlo dose calculation in a real‐time adaptive workflow
Authors: Bedford James L. , Nilawar Rahul , Nill Simeon , Oelfke Uwe
Published: June 2022

Purpose

This study aims to develop and validate a simple geometric model of the accelerator head, from which a particle phase space can be calculated for application to fast Monte Carlo dose calculation in real‐time adaptive photon radiotherapy. With this objective in view, the study investigates whether the phase space model can facilitate dose calculations which are compatible with those of a commercial treatment planning system, for convenient interoperability.

Materials and methods

A dual‐source model of the head of a Versa HD accelerator (Elekta AB, Stockholm, Sweden) was created. The model used parameters chosen to be compatible with those of 6‐MV flattened and 6‐MV flattening filter‐free photon beams in the RayStation treatment planning system (RaySearch Laboratories, Stockholm, Sweden). The phase space model was used to calculate a photon phase space for several treatment plans, and the resulting phase space was applied to the Dose Planning Method (DPM) Monte Carlo dose calculation algorithm. Simple fields and intensity‐modulated radiation therapy (IMRT) treatment plans for prostate and lung were calculated for benchmarking purposes and compared with the convolution‐superposition dose calculation within RayStation.

Results

For simple square fields in a water phantom, the calculated dose distribution agrees to within ±2% with that from the commercial treatment planning system, except in the buildup region, where the DPM code does not model the electron contamination. For IMRT plans of prostate and lung, agreements of ±2% and ±6%, respectively, are found, with slightly larger differences in the high dose gradients.

Conclusions

The phase space model presented allows convenient calculation of a phase space for application to Monte Carlo dose calculation, with straightforward translation of beam parameters from the RayStation beam model. This provides a basis on which to develop dose calculation in a real‐time adaptive setting.
Nonhalogenated Dual‐Slot‐Die Processing Enables High‐Efficiency Organic Solar Cells
Authors: Xue Jingwei , Zhao Heng , Lin Baojun , Wang Yilin , Zhu Qinglian , Lu Guanyu , Wu Baohua , Bi Zhaozhao , Zhou Xiaobo , Zhao Chao , Lu Guanghao , Zhou Ke , Ma Wei
Published: June 2022

Organic solar cells (OSCs) are promising candidates for next‐generation photovoltaic technologies, with their power conversion efficiencies (PCEs) reaching 19%. However, the typically used spin‐coating method, toxic halogenated processing solvents, and the conventional bulk‐heterojunction (BHJ), which causes excessive charge recombination, hamper the commercialization and further efficiency promotion of OSCs. Here, a simple but effective dual‐slot‐die sequential processing (DSDS) strategy is proposed to address the above issues by achieving a continuous solution supply, avoiding the solubility limit of the nonhalogen solvents, and creating a graded‐BHJ morphology. As a result, an excellent PCE of 17.07% is obtained with the device processed with o‐xylene in an open‐air environment with no post‐treatment required, while a PCE of over 14% is preserved in a wide range of active‐layer thickness. The unique film‐formation mechanism is further identified during the DSDS processing, which suggests the formation of the graded‐BHJ morphology by the mutual diffusion between the donor and acceptor and the subsequent progressive aggregation. The graded‐BHJ structure leads to improved charge transport, inhibited charge recombination, and thus an excellent PCE. Therefore, the newly developed DSDS approach can effectively contribute to the realm of high‐efficiency and eco‐friendly OSCs, which can also possibly be generalized to other organic photoelectric devices.
Pd(II)‐Catalyzed Asymmetric Addition of Arylboronic Acids to Aliphatic N‐Carbamoyl Hydrazones
Authors: Alberca Saúl , Velázquez Marta , Trujillo‐Sierra José , Iglesias‐Sigüenza Javier , Fernández Rosario , Lassaletta José M. , Monge David
Published: June 2022

Catalysts generated by combinations of Pd(TFA)2 and pyridine‐hydrazone ligands have been applied to 1,2 addition of arylboronic acids to aliphatic N‐carbamoyl (Cbz) hydrazones, affording protected α‐aryl monoalkylhydrazines with high enantioselectivities (37‐99% ee). Subsequent removal of the benzyloxy carbonyl protecting group provides a direct entry to free monosubstituted hydrazines, key building blocks for the synthesis of appealing 1,2‐diaza‐heterocycles, aminoacid derived hydrazides and other pharmacophores thereof.

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Machine Learning Accelerates Molten Salt Simulations: Thermal Conductivity of MgCl2‐NaCl Eutectic
Authors: Liang Wenshuo , Lu Guimin , Yu Jianguo
Published: June 2022

The marriage of ab initio calculations and machine learning (ML) methods exhibits bright application prospects in interatomic potential development. In this work, a concurrent learning scheme is implemented to automatically generate ML interatomic potential for the MgCl2‐NaCl eutectic. This scheme allows to train ML interatomic potential with training datasets approximately four times smaller than that of previous work, which significantly reduces the computational cost. The learned ML interatomic potential is used to accelerate the ab initio estimation of the properties of MgCl2‐NaCl eutectic, thermal conductivity in particular. With the learned models, simulations are conducted on multiple system sizes (1464–4392 atoms) and a wide temperature range (773–1073 K). The impact of the finite‐size effect on simulated thermal conductivity and derived size‐independent thermal conductivity is carefully investigated. The simulated thermal conductivities decrease with temperature and are in the range 0.469–0.538 W m−1 K−1 at 773–1073 K, which is in reasonable agreement with the literature data. Overall, the training scheme and the learned potential have produced reliable and satisfactory results, and promise to open up new avenues in the computational modeling of molten salts.
Synthesis of Glycerol Carbonate from Glycerol and CO2 Using CaO as a Dehydrating Agent
Authors: Takeuchi Katsuhiko , Matsumoto Kazuhiro , Fukaya Norihisa , Sato Kazuhiko , Choi Jun‐Chul
Published: June 2022

Glycerol carbonate, a high value‐added chemical, is produced from glycerol, a surplus biomass byproduct of biodiesel production, and carbon dioxide, an inexhaustible raw material. In this study, calcium oxide (CaO) was used as a regenerable dehydrating agent, and Zn(OTf)2/1,10‐phenanthroline was used as the catalyst. Stirring with a common magnetic stirrer bar was found to be unsuitable for the reaction, owing to the solidification of calcium components after dehydration. However, mechanical stirring effectively resolves this issue and produces a high yield. The only byproduct of the reaction is H2O, since CaO is regenerable. In addition, because the carbon atoms of biomass‐derived glycerol are obtained from CO2 fixed by plant photosynthesis, all the carbon atoms of glycerol carbonate can be said to be derived from CO2. This approach can be used for the syntheses of other cyclic carbonates as well.
DMSO as C1 Source under Metal‐ and Oxidant‐free Conditions: NH4SCN‐mediated Synthesis of Quinazolinone and Dihydroquinazolin‐4(1H)‐one Derivatives
Authors: Govindan Karthick , Jayaram Alageswaran , Qi Chen Nian , Duraisamy Tamilselvan , Lin Wei‐Yu
Published: June 2022

A new and efficient strategy for the development of quinazolinones and dihydroquinazolin‐4(1H)‐ones promoted by ammonium thiocyanate is reported. Most remarkably, dimethyl sulfoxide is used for solvent as well as methine and bridged methylene source to obtain a wide variety of new N, N‐disubstituted 2,3‐ dihydroquinazolin‐4(1H)‐ones. This transformation possesses significant advantages such as metal‐ and oxidant‐free, non‐acidic medium, simple condition, good functional group tolerance and broad substrate scope. Besides, this process could be readily scaled up and applied to drug molecules synthesis.
Vergleichende Evaluierung lichtgetriebener Katalyse: Ein Rahmenkonzept für das standardisierte Berichten von Daten**
Authors: Ziegenbalg Dirk , Pannwitz Andrea , Rau Sven , Dietzek‐Ivanšić Benjamin , Streb Carsten
Published: June 2022

Lichtgetriebene homogene und heterogene Katalyse erfordern ein komplexes Zusammenspiel von Lichtabsorption, Ladungstrennung, Ladungstransfer und katalytischem Umsatz. Optische und Bestrahlungsparameter sowie reaktionstechnische Aspekte spielen eine wichtige Rolle bei der Kontrolle der katalytischen Leistung. Diese Vielzahl von Faktoren erschwert den objektiven Vergleich lichtgetriebener Katalysatoren und die unvoreingenommene Leistungsbewertung. Dieser Artikel unterstreicht die Bedeutung der Erfassung und Dokumentation experimenteller Daten in homogener und heterogener lichtgetriebener Katalyse. Dazu wird eine kritische Analyse der Vorteile und Grenzen üblicherweise verwendeter experimenteller Indikatoren vorgenommen. Datenerfassung und ‐dokumentation nach den FAIR‐Prinzipien werden im Zusammenhang mit zukünftiger automatisierter Datenanalyse diskutiert. Wir schlagen einen Mindestdatensatz als Grundlage für eine einheitliche Erfassung und Dokumentation von experimentellen Daten in der homogenen und heterogenen lichtgetriebenen Katalyse vor. Die Forschungscommunity wird ermutigt, die zukünftige Entwicklung dieser Parameterliste im Rahmen eines offenen Online‐Repository zu unterstützen.
Sulfur‐Doped Quintuple [9]Helicene with Azacorannulene as Core
Authors: Wu Yin‐Fu , Ying Si‐Wei , Liao Song‐Di , Zhang Ling , Du Jun‐Jie , Chen Bin‐Wen , Tian Han‐Rui , Xie Fang‐Fang , Xu Han , Deng Shun‐Liu , Zhang Qianyan , Xie Su‐Yuan , Zheng Lan‐Sun
Published: June 2022

Herein, a hetero(S,N)‐quintuple [9]helicene (SNQ9H) molecule with an azacorannulene core was synthesized, currently representing the highest hetero‐helicene reported in the field of multiple [n]helicenes. X‐ray crystallography indicated thatSNQ9Hincludes not only a propeller‐shaped conformerSNQ9H‐1, but also an unforeseen quasi‐propeller‐shaped conformerSNQ9H‐2. Different conformers were observed for the first time in multiple [n≥9]helicenes, likely owing to the doping of heteroatomic sulfurs in the helical skeletons. Remarkably, the ratio ofSNQ9H‐1toSNQ9H‐2can be regulated in situ by the reaction temperature. Experimental studies on the photophysical and redox properties ofSNQ9Hand theoretical calculations clearly demonstrated that the electronic structures ofSNQ9Hdepend on their molecular conformations. The strategy of introducing heteroatomic sulfurs into the helical skeleton may be useful in constructing various conformers of higher multiple [n]helicenes in the future.
Directional Laser from Solution‐Grown Grating‐Patterned Perovskite Single‐Crystal Microdisks
Authors: Zhang Zemin , Vogelbacher Florian , De Jianbo , Wang Yang , Liao Qing , Tian Yang , Song Yanlin , Li Mingzhu
Published: June 2022

Solution‐processed, high‐gain, and wavelength‐tunable perovskite single‐crystal microdisk (PVKsc‐MD) lasers have emerged as prospective coherent light sources in advanced nanophotonic designs. However, the inevitable multi‐directional emission from a highly symmetrical cavity leads to low light collection efficiency which greatly hinders its application in integrated optical circuits. Here, we report on surface‐patterned MAPbBr3 PVKsc‐MDs synthesized by a cost‐efficient bottom‐up solution process employing spin‐coating and confined‐growth nanoimprinting. The patterned microdisks have high crystal quality with regular shape and sharp edges and nano‐grating structure on the upper surface. This straightforward process yields surface‐patterned PVKsc‐MD lasers with a low lasing threshold and high quality (Q) factor. In addition, the grating structure patterned on the PVKsc‐MDs reduces the original symmetry of the laser cavity, which improves the emission directionality four times.
Metal–Organic Frameworks for Ion Conduction
Authors: Xue Wendan , Sewell Christopher D. , Zhou Qixing , Lin Zhiqun
Published: June 2022

Solid‐state ionic conductors are compelling alternatives to liquid electrolytes in clean energy‐harvesting and ‐storage technologies. The development of novel ionic conducting materials is one of the most critical challenges for next‐generation energy technologies. Several advancements in design strategies, synthetic approaches, conducting properties, and underlying mechanisms for ionic conducting metal–organic frameworks (MOFs) have been made over the past five years; however, despite the recent, considerable expansion of related research fields, there remains a lack of systematic overviews. Here, an extensive introduction to ionic conducting performance for MOFs with different design strategies is provided, focusing primarily on ion mobility with the aid of hydrogen‐bonding networks or solvated ionic charge. Furthermore, current theories on ion conducting mechanisms in different regimes are comprehensively summarized to provide an understanding of the underlying working principles in complex, realistic systems. Finally, challenges and future research directions at the forefront of ionic conducting MOF technologies are outlined.
Comparative Evaluation of Light‐Driven Catalysis: A Framework for Standardized Reporting of Data**
Authors: Ziegenbalg Dirk , Pannwitz Andrea , Rau Sven , Dietzek‐Ivanšić Benjamin , Streb Carsten
Published: June 2022

Light‐driven homogeneous and heterogeneous catalysis require a complex interplay between light absorption, charge separation, charge transfer, and catalytic turnover. Optical and irradiation parameters as well as reaction engineering aspects play major roles in controlling catalytic performance. This multitude of factors makes it difficult to objectively compare light‐driven catalysts and provide an unbiased performance assessment. This Scientific Perspective highlights the importance of collecting and reporting experimental data in homogeneous and heterogeneous light‐driven catalysis. A critical analysis of the benefits and limitations of the commonly used experimental indicators is provided. Data collection and reporting according to FAIR principles is discussed in the context of future automated data analysis. The authors propose a minimum dataset as a basis for unified collecting and reporting of experimental data in homogeneous and heterogeneous light‐driven catalysis. The community is encouraged to support the future development of this parameter list through an open online repository.
2D MOF with Compact Catalytic Sites for the One‐pot Synthesis of 2,5‐Dimethylfuran from Saccharides via Tandem Catalysis
Authors: Deng Qiang , Hou Xuemeng , Zhong Yao , Zhu Jiawei , Wang Jun , Cai Jianxin , Zeng Zheling , Zou Ji‐Jun , Deng Shuguang , Yoskamtorn Tatchamapan , Tsang Shik Chi Edman
Published: June 2022

One pot synthesis of 2,5‐dimethylfuran (2,5‐DMF) from saccharides under mild conditions is of importance for the production of biofuel and fine chemicals. However, the synthesis requires a multitude of active sites and suffers from slow kinetics due to poor diffusion in most composite catalysts. Herein, a metal‐acid functionalized 2D metal‐organic framework (MOF; Pd/NUS‐SO3H), as an ultrathin nanosheet of 3–4 nm with Lewis acid, Brønsted acid, and metal active sites, was prepared based on the diazo method for acid modification and subsequent metal loading. This new composite catalyst gives substantially higher yields of DMF than all reported catalysts for different saccharides (fructose, glucose, cellobiose, sucrose, and inulins). Characterization suggests that a cascade of reactions including polysaccharide hydrolysis, isomerization, dehydration, and hydrodeoxygenation takes place with rapid molecular interactions.
Enantioselective Synthesis of Enantioisotopomers with Quantitative Chiral Analysis by Chiral Tag Rotational Spectroscopy
Authors: Mills Mitchell D. , Sonstrom Reilly E. , Vang Zoua Pa , Neill Justin L. , Scolati Haley N. , West Channing T. , Pate Brooks H. , Clark Joseph R.
Published: June 2022

Fundamental to the synthesis of enantioenriched chiral molecules is the ability to assign absolute configuration at each stereogenic center, and to determine the enantiomeric excess for each compound. While determination of enantiomeric excess and absolute configuration is often considered routine in many facets of asymmetric synthesis, the same determinations for enantioisotopomers remains a formidable challenge. Here, we report the first highly enantioselective metal‐catalyzed synthesis of enantioisotopomers that are chiral by virtue of deuterium substitution along with the first general spectroscopic technique for assignment of the absolute configuration and quantitative determination of the enantiomeric excess of isotopically chiral molecules. Chiral tag rotational spectroscopy uses noncovalent chiral derivatization, which eliminates the possibility of racemization during derivatization, to perform the chiral analysis without the need of reference samples of the enantioisotopomer.
Lower neutrophil‐to‐lymphocyte ratio and positive programmed cell death ligand‐1 expression are favorable prognostic markers in patients treated with pembrolizumab for urothelial carcinoma
Authors: Miyama Yu , Kaneko Go , Nishimoto Koshiro , Yasuda Masanori
Published: June 2022

Background

Immune checkpoint inhibitors (ICIs) are effective in some cancer patients; however, they may show no efficacy in others. Predictive biomarkers are crucial for appropriately selecting the patients who receive ICI therapy. This study aimed to clarify the predictors of disease progression in urothelial carcinoma (UC) patients treated with an ICI, pembrolizumab.

Methods

We analyzed the response patterns of 50 UC patients who were treated with pembrolizumab, as well as the association between survival and clinicopathological factors. Clinical factors included age, sex, body mass index, clinical courses, laboratory data, metastases, and adverse events. Pathological factors included special variant, squamous differentiation, programmed cell death ligand‐1 (PD‐L1) expression, CD8‐positive lymphocytes density, and CDKN2A/p16 homozygous deletion.

Results

During pembrolizumab treatment, four (8%), 11 (22%), and eight (16%) patients achieved the best‐case scenarios of complete response, partial response, and stable disease, respectively. Twenty‐seven patients (54%) showed progressive disease. In this study, younger age, lower preoperative neutrophil‐to‐lymphocyte ratio (NLR), and positive PD‐L1 expression were significantly correlated with longer progression‐free survival and overall survival. Moreover, lower NLR and positive PD‐L1 expression were independently associated with longer OS in multivariate analysis.

Conclusions

Based on our observations, lower NLR and positive PD‐L1 expression may be independent favorable prognostic markers in UC patients treated with pembrolizumab. These results suggest that both host and tumor status can reflect the effectiveness of pembrolizumab among patients with UC.
Interactive exploration of drapes by simulation parameters
Authors: Ju Eunjung , Kim Kwang‐yun , Lee Jaehoon , Yoon Sungjin , Choi Myung Geol
Published: June 2022

How similar a virtual product is to a real product is one of the most important issues when using virtual simulation to develop real apparel designs. The first step to achieve high similarity is finding optimal simulation parameters for the desired fabrics. However, it is notoriously difficult to find an optimal parameter set that reproduces the physical properties of a specific fabric as closely as possible. It is because the relationship between the changes of simulation parameters and drape shapes is highly non‐linear, not intuitive, and hard to be predicted even by experts. Therefore, users have to repeat trial and error based on personal experience until they find satisfactory results, which is time consuming due to the simulation time required for each trial. To handle this problem, we proposed a neural network model that learns the relationship between the parameter space and the drape space, then we presented a user interface that allows users to quickly explore the extensive drape space through simulation parameters. To validate our method, we provided our UI with experts in the fashion design industry and conducted user studies with them for qualitative evaluation.
Cyclic Disulfide Liposomes for Membrane Functionalization and Cellular Delivery
Authors: Qualls Megan L. , Lou Jinchao , McBee Dillon P. , Baccile Joshua A. , Best Michael D.
Published: June 2022

Liposomes are effective therapeutic delivery nanocarriers due to their ability to encapsulate and enhance the pharmacokinetic properties of a wide range of therapeutics. Two primary areas in which improvement is needed for liposomal drug delivery is to enhance the ability to infiltrate cells and to facilitate derivatization of the liposome surface. Herein, we report a liposome platform incorporating a cyclic disulfide lipid (CDL) for the dual purpose of enhancing cell entry and functionalizing the liposome membrane through thiol‐disulfide exchange. In order to accomplish this, CDL‐1 and CDL‐2, composed of lipoic acid (LA) or asparagusic acid (AA) appended to a lipid scaffold, were designed and synthesized. A fluorescence‐based microplate immobilization assay was implemented to show that these compounds enable convenient membrane decoration through reaction with thiol‐functionalized small molecules. Additionally, fluorescence microscopy experiments indicated dramatic enhancements in cellular delivery when CDLs were incorporated within liposomes. These results demonstrate that multifunctional CDLs serve as an exciting liposome system for surface decoration and enhanced cellular delivery.
Intramolecular, Interrupted Homo‐Nazarov Cascade Biscyclizations to Angular (Hetero)Aryl‐Fused Polycycles
Authors: Chen Doris , Jones Elizabeth V. , Williams Corey W. , Huynh Tan‐Khang N. , McPhail Tristan C. , France Stefan
Published: June 2022

Herein, a SnCl4‐catalyzed intramolecular, interrupted homo‐Nazarov cascade biscyclization to access angular (hetero)aryl‐fused polycycles is reported. Subsequent decarboxylation of the readily enolizable products afforded the angular products in up to 71 % yield over two steps, with the trans‐diastereomers as the major products. The cyclopropyl homo‐Nazarov cyclization precursors were formed using a scalable and modular synthetic route that, ultimately, offers access to 6,6,6‐, 6,6,5‐, 6,5,6‐, 6,6,5,6‐, and 6,6,6,5‐fused angular polycyclic products. To showcase the rigor and utility of the method, an 8‐step total synthesis of (±)‐1‐oxoferruginol, an antibacterial aromatic abietane diterpenoid, was disclosed.
Altered innate immune profile in blood of systemic mastocytosis patients
Authors: Pérez‐Pons Alba , Jara‐Acevedo María , Henriques Ana , Navarro‐Navarro Paula , García‐Montero Andrés C. , Álvarez‐Twose Iván , Pedreira Carlos E. , Sánchez‐Muñoz Laura , Damasceno Daniela , Caldas Carolina , Muñoz‐González Javier I. , Matito Almudena , Flores‐Montero Juan , González‐López Oscar , Criado Ignacio , Mayado Andrea , Orfao Alberto
Published: June 2022

Background

Mast cells (MC) from systemic mastocytosis (SM) patients release MC mediators that lead to an altered microenvironment with potential consequences on innate immune cells, such as monocytes and dendritic cells (DC). Here we investigated the distribution and functional behaviour of different populations of blood monocytes and DC among distinct diagnostic subtypes of SM.

Methods

Overall, we studied 115 SM patients ‐ 45 bone marrow mastocytosis (BMM), 61 indolent SM (ISM), 9 aggressive SM (ASM)‐ and 32 healthy donors (HD). Spontaneous and in vitro‐stimulated cytokine production by blood monocytes, and their plasma levels, together with the distribution of different subsets of blood monocytes and DCs, were investigated.

Results

SM patients showed increased plasma levels and spontaneous production by blood monocytes of IL1β, IL6, IL8, TNFα and IL10, associated with an exhausted ability of LPS + IFNγ‐stimulated blood monocytes to produce IL1β and TGFβ. SM (particularly ISM) patients also showed decreased counts of total monocytes, at the expense of intermediate monocytes and non‐classical monocytes. Interestingly, while ISM and ASM patients had decreased numbers of plasmacytoid DC and myeloid DC (and their major subsets) in blood, an expansion of AXL+ DC was specifically encountered in BMM cases.

Conclusion

These results demonstrate an altered distribution of blood monocytes and DC subsets in SM associated with constitutive activation of functionally impaired blood monocytes and increased plasma levels of a wide variety of inflammatory cytokines, reflecting broad activation of the innate immune response in mastocytosis.
Establishing a health profession: What oncology patient navigators can learn from the National Association of Community Health Workers
Authors: Rush Carl H. , Smith Denise Octavia , Fox Durrell J. , Wennerstrom Ashley
Published: June 2022

Persons who identify as community health workers (CHWs) may hold other titles and/or certifications, including the title of patient navigator (PN). PN roles first emerged from Dr. Harold Freeman's initiative at Harlem Hospital as a strategy to reduce disparities in access to health care, whereas CHW roles extend beyond health systems and are predominantly found in community‐based organizations and nonprofits. Although CHWs' origins in the United States predate those of PNs, the growth of CHWs' professional identity and national representation trails that of PNs despite evidence of CHWs' effectiveness since the 1960s. Barriers to progress have included a pattern of short‐term and inequitable funding for CHW positions, a lack of employer support for participation in association business, and broad diversity in CHW roles and work settings. The National Association of Community Health Workers (NACHW) was launched in 2019 and built on earlier organizing efforts by multisector, multicultural CHWs and allies in the CHW section of the American Public Health Association and on efforts to create the American Association of Community Health Workers (2006‐2009). Trends in health care financing, increasing calls for racial equity, and the coronavirus disease 2019 (COVID‐19) pandemic have amplified the unique abilities and trust that CHWs apply to underresourced, marginalized, and multiethnic populations to address both the social determinants of health and health system access, cost, and quality. As a result, the NACHW has been at the forefront of efforts to improve federal funding for COVID responses, to sustain funding for CHWs and their organizations beyond the pandemic, and to drive equity in the rebuilding of public health infrastructure and the transformation of payment models and health systems. Lessons learned from this process that have implications for the oncology patient navigation field include the persistent need to reinforce the value of self‐determination for the profession in matters of policy; the importance of actively cultivating unity among diverse cultural and practice groups within the profession; the essential roles of active volunteer leadership, early staffing, and substantial financial support over an extended startup period; the ongoing need for leadership development within a workforce with limited exposure to a professional association culture; the vital importance of ongoing efforts to collaborate with and build capacity among state‐level CHW networks; and the value of opportunistic national collaborations in a rapidly evolving policy environment.
Patient navigation to address sociolegal barriers for patients with cancer: A comparative‐effectiveness study
Authors: Battaglia Tracy A. , Gunn Christine M. , Bak Sharon M. , Flacks JoHanna , Nelson Kerrie P. , Wang Na , Ko Naomi Y. , Morton Samantha J.
Published: June 2022

Background

Sociolegal barriers to cancer care are defined as health‐related social needs like affordable healthy housing, stable utility service, and food security that may be remedied by public policy, law, regulation, or programming. Legal support has not been studied in cancer care.

Methods

The authors conducted a randomized controlled trial of patients who had newly diagnosed cancer at a safety‐net medical center in Boston from 2014 through 2017, comparing standard patient navigation versus enhanced navigation partnered with legal advocates to identify and address sociolegal barriers. English‐speaking, Spanish‐speaking, or Haitian Creole‐speaking patients with breast and lung cancer were eligible within 30 days of diagnosis. The primary outcome was timely treatment within 90 days of diagnosis. Secondary outcomes included patient‐reported outcomes (distress, cancer‐related needs, and satisfaction with navigation) at baseline and at 6 months.

Results

In total, 201 patients with breast cancer and 19 with lung cancer enrolled (response rate, 78%). The mean patient age was 55 years, 51% of patients were Black and 22% were Hispanic, 20% spoke Spanish and 8% spoke Haitian Creole, 73% had public health insurance, 77% reported 1 or more perceived sociolegal barrier, and the most common were barriers to housing and employment. Ninety‐six percent of participants with breast cancer and 73% of those with lung cancer initiated treatment within 90 days. No significant effect of enhanced navigation was observed on the receipt of timely treatment among participants with breast cancer (odds ratio, 0.88; 95% CI, 0.17‐4.52) or among those with lung cancer (odds ratio, 4.00; 95% CI, 0.35‐45.4). No differences in patient‐reported outcomes were observed between treatment groups.

Conclusions

Navigation enhanced by access to legal consultation and support had no impact on timely treatment, patient distress, or patient needs. Although most patients reported sociolegal barriers, few required intensive legal services that could not be addressed by navigators.

Lay Summary

In patients with cancer, the experience of sociolegal barriers to care, such as unstable housing, utility services, or food insecurity, is discussed. Addressing these barriers through legal information and assistance may improve care.

This study compares standard patient navigation versus enhanced navigation partnered with legal advocates for patients with breast and lung cancers. Almost all patients in both navigation groups received timely care and also reported the same levels of distress, needs, and satisfaction with navigation.

Although 75% of patients in the study had at least 1 sociolegal barrier identified, few required legal advocacy beyond what a navigator who received legal information and coaching could provide.
Change agents in the oncology workforce: Let's be clear about community health workers and patient navigators
Authors: Battaglia Tracy A. , Zhang Xiaochen , Dwyer Andrea J. , Rush Carl H. , Paskett Electra D.
Published: June 2022

Despite efforts of professional organizations and government agencies to solidify the professional identities of community health workers and patient navigators in the oncology workforce, the scientific literature perpetuates wide variation in the nomenclature used to define these natural change agents, who have proven efficacy in improving access to quality cancer care for historically marginalized populations. To disseminate, sustain, and scale‐up these life‐saving roles in cancer care, the oncology field must come together now to adopt clear and consistent job titles and occupational identities.