bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tumor immune microenvironment in therapy‐naive esophageal adenocarcinoma could predict the nodal status
Authors: Kotsafti Andromachi , Fassan Matteo , Cavallin Francesco , Angerilli Valentina , Saadeh Luca , Cagol Matteo , Alfieri Rita , Pilati Pierluigi , Castoro Carlo , Castagliuolo Ignazio , Scarpa Melania , Scarpa Marco 
Published: October 2022

AbstractBackgroundCurrently, preoperative staging of esophageal adenocarcinoma (EAC) has modest reliability and accuracy for pT and pN stages prediction, which heavily affects overall survival. The interplay among immune checkpoints, oncogenes, and intratumoral and peritumoral immune infiltrating cells could be used to predict loco‐regional metastatic disease in early EAC.MethodsWe prospectively evaluated immune markers expression and oncogenes status as well as intratumoral and peritumoral immune infiltrating cells populations in esophageal mucosa samples obtained from neoadjuvant therapy‐naïve patients who had esophagectomy for EAC.ResultsVascular invasion and high infiltration of lamina propria mononuclear cells resulted associated with nodal metastasis. Low infiltration of activated CD8+CD28+ T cells was observed in both intratumoral and peritumoral mucosa of patients with nodal metastasis. Low levels of CD69, MYD88, and TLR4 transcripts were detected in the intratumoral specimen of patients with lymph node involvement. Receiver operating characteristic curve analysis showed good accuracy for detecting nodal metastasis for all the markers tested. Significant lower infiltration of CD8 T cells and M1 macrophages and a lower expression of CD8A, CD8B, and TBX21 were found also in Esophageal Adenocarcinoma TCGA panCancer Atlas in the normal tissue of patients with nodal metastasis.ConclusionsOur data suggest that immune surveillance failure is the main driver of nodal metastasis onset. Moreover, nodal metastasis containment also involves the immune microenvironment of the peritumoral healthy tissue.
Bone construction surgery: A case report using recombinant human platelet‐derived growth factor‐BB
Authors: Mandelaris George A. , DeGroot Bradley 
Published: October 2022

AbstractBackgroundThe position and condition of bone largely sets the stage for functional and esthetic implant success. In bone construction surgery, creating a sustainable functional matrix is complex, but necessary, to enable long‐term mechanotransduction and maintenance of soft tissue support.MethodsA patient with a severe peri‐implantitis ridge defect in the anterior maxilla underwent bone construction surgery simultaneous with implant removal using a composite bone graft (mineralized freeze dried bone allograft + xenograft) enhanced with recombinant human platelet‐derived growth factor (rhPDGF‐BB). Space maintenance for bone construct immobility and unimpeded wound healing was ensured via a nonresorbable titanium reinforced polytetrafluoroethylene membrane and an absorbable porcine collagen membrane.ResultsPrimary closure was maintained throughout the 6 month healing process at which time implant diagnostics commenced for prosthetically directed implant placement using dynamic navigation and involving soft tissue augmentation. Uncovery was performed 3 months thereafter leading to provisionalization and prosthetic phase completion.ConclusionThis case report highlights a severe maxillary anterior ridge defect secondary to advanced peri‐implantitis in a systemically healthy Caucasian male patient. The surgical outcome success, both clinically and radiographically, underscores the complexities of complete regional anatomy rehabilitation after suffering catastrophic and debilitating bone loss from inflammatory peri‐implantitis. Further, it demonstrates the importance of incorporating optimized angiogenetic therapeutics to help establish a vascularized functional bone matrix for implant success.
The treatment of multiple gingival recession defects with connective tissue grafting and enamel matrix derivative in a private practice setting: Two case reports
Authors: Scheyer E. Todd , Gomes Patricia , Rossi Andrew 
Published: October 2022

AbstractBackgroundDentofacial esthetics has become a mainstay treatment in periodontics. For a periodontal private practice to succeed in a referral‐based environment, predictability and stability in treatment results are crucial. The scientific literature provides a guide to successfully treating multiple recession defects with non‐carious cervical lesions and lingual recession. These case reports show how the use of biologic mediators, proper case selection, and proper surgical technique may provide a better treatment outcome for our patients.MethodsTwo patients with multiple gingival recession defects were treated with autogenous tissue grafting in conjunction with the application of enamel matrix derivative (EMD) to attempt root coverage. Based on the Cairo classification, the recession defects were classified as type I in the maxillary buccal and lingual recession in the mandibular anterior. There were areas of no attached gingiva, loss of enamel, and the presence of non‐carious cervical lesions.ResultsAt 3‐month post‐treatment in case #1 and 6‐month post‐treatment in case #2, satisfactory esthetic results for the patients and clinician were achieved. These short‐term follow‐ups were favorable for root coverage and soft tissue healing, especially at the 1‐week visit. There was noticeably less edema and erythema. Additionally, dental hypersensitivity was no longer reported for both patients.ConclusionBy using biologic mediators, such as an EMD combined with connective tissue grafting, both multiple recession defects with non‐carious cervical lesions, and lingual recession cases, can be treated successfully in a private practice setting. Using an EMD provides no additional risks to patients, may result in faster healing, and would afford stability of long‐term success by influencing true periodontal regeneration.
Catalytic Profile Reactor for Multimodal Operando Measurements during Periodic Operation
Authors: Espinoza Diego , Wollak Birte , Sheppard Thomas L. , Dippel Ann‐Christin , Sturm Marina , Gutowski Olof , Schmidt Michael , Korup Oliver , Horn Raimund 
Published: October 2022

AbstractMultimodal operando measurement concepts aim to provide structure‐activity relations of heterogeneously catalyzed reactions during operation. While the utilization of multiple characterization and spatiotemporally‐resolved techniques provides complementary information at relevant time and length scales, different reactor operation modes allow to track catalyst dynamics. However, combining these measurement concepts require complex experimental setups with high demands from a strongly interdisciplinary field of reaction engineering, physics and chemistry. In this study, a fully automated and integrated catalytic profile reactor setup is introduced which is capable of measuring spatiotemporally‐resolved species concentration, temperature and catalyst structure information under periodic reaction conditions. The oxidative dehydrogenation of C2H6 to C2H4 over MoO3/γ‐Al2O3 was used as a test system. Using the periodic profile approach, the catalytic system was investigated through activity measurements resolved in time and space combined with reactor simulations and operando high‐energy X‐ray diffraction. The presented catalytic profile reactor setup is a versatile technology, aiming to promote combined and detailed analysis of local catalyst activity and structure, for improved reproducibility and quality of operando measurements.
Effects of Adding Different Proportions of H2 to the Simulated Hydrogen‐Rich Blast Furnace
Authors: Fan Xiangyu , Li Chao , Wang Mingdeng , Liu Yang , Feng Yifei , Liu Yang , Zhong Xiangyun , Xu Guozhong , Zhang Yaru , Zheng Yajie , Bai Bin , Bai Jinfeng 
Published: October 2022

AbstractThe volume‐fraction changes of CO2 and H2O after adding different proportions of H2 to the hydrogen‐rich blast furnace were simulated by thermodynamic calculations to evaluate the effects of H2 on coke gasification in a blast furnace. Thermodynamic calculations indicated that the H2O content in the mixed gas gradually increased with higher H2 content. The coke gasification kinetics effective diffusion coefficient De and interfacial reaction rate constant k+ of the coke gasification reaction improved with higher H2 content. In addition, the reactivity of cokes enhanced and the coke strength after reaction decreased with higher H2 content. Mercury porosimeter experiments demonstrated that the coke gasification reaction mainly occurred on the surface.
In operando‐formed interface between silver and perovskite oxide for efficient electroreduction of carbon dioxide to carbon monoxide
Authors: Wu Xinhao , Guo Yanan , Gu Yuxing , Xie Fenghua , Li Mengran , Hu Zhiwei , Lin Hong‐Ji , Pao Chih‐Wen , Huang Yu‐Cheng , Dong Chung‐Li , Peterson Vanessa K. , Ran Ran , Zhou Wei , Shao Zongping 
Published: October 2022

AbstractElectrochemical carbon dioxide (CO2) reduction (ECR) is a promising technology to produce valuable fuels and feedstocks from CO2. Despite large efforts to develop ECR catalysts, the investigation of the catalytic performance and electrochemical behavior of complex metal oxides, especially perovskite oxides, is rarely reported. Here, the inorganic perovskite oxide Ag‐doped (La0.8Sr0.2)0.95Ag0.05MnO3–δ (LSA0.05M) is reported as an efficient electrocatalyst for ECR to CO for the first time, which exhibits a Faradaic efficiency (FE) of 84.3%, a remarkable mass activity of 75 A g−1 (normalized to the mass of Ag), and stability of 130 h at a moderate overpotential of 0.79 V. The LSA0.05M catalyst experiences structure reconstruction during ECR, creating the in operando‐formed interface between the perovskite and the evolved Ag phase. The evolved Ag is uniformly distributed with a small particle size on the perovskite surface. Theoretical calculations indicate the reconstruction of LSA0.05M during ECR and reveal that the perovskite–Ag interface provides adsorption sites for CO2 and accelerates the desorption of the *CO intermediate to enhance ECR. This study presents a novel high‐performance perovskite catalyst for ECR and may inspire the future design of electrocatalysts via the in operando formation of metal–metal oxide interfaces.
Hydrogen Bonded Foldamers with Axial Chirality: Chiroptical Properties and Applications
Authors: Liu Bingyu , Xing Pengyao 
Published: October 2022

AbstractFolding phenomenon refers to the formation of a specific conformation widely featured by the intramolecular interactions, which broadly exist in biomacromolecules, and are closely related to their structures and functions. A variety of oligomeric folded molecules have been designed and synthesized, namely “foldamer”, exhibiting potentials in pharmaceutical and catalysis. Molecular folding is a promising strategy to transfer chirality from substituents to the whole skeleton, when chirality transfer, amplification, evolution, and other behaviors could be achieved. Investigating chirality using foldamer model deepens the understanding of the structure‐function correlation in biomacromolecules and expands the molecular toolbox towards chiroptical and asymmetrical chemistry. Substitutes with abundant hydrogen bonding sites conjugated to a rotatable aryl group afford a parallel β‐sheet‐like conformation, which enables the emergence and manipulation of axial chirality. This concept aims to give a brief introduction and summary of the hydrogen bonded foldamers with anchored axial chirality, by taking some recent cases as examples. Design principles, control over axial chirality and applications are also reviewed.
Experimentally Calibrated Computational Prediction Enables Accurate Fine‐Tuning of Near‐Infrared Rhodamines for Multiplexing
Authors: DiMeglio David , Zhou Xinqi , Wirth Tatiana , Brøndsted Frederik , Lesiak Lauren , Fang Yuan , Shadmehr Mehrdad , Stains Cliff I. 
Published: October 2022

AbstractA significant barrier inhibiting multiplexed imaging in the near‐infrared (NIR) is the extensive trial and error associated with fine‐tuning NIR dyes. In particular, the need to synthesize and experimentally evaluate dye derivatives in order to empirically identify those that can be used in multiplexing applications, requires a large investment of time. While coarse‐tuning efforts benefit from computational prediction that can be used to identify target dye structures for synthetic campaigns, errors in computational prediction remain too large to accurately parse modifications aimed at fine‐tuning changes in dye absorbance and emission. To address this issue, we screened different levels of theory and identified a time‐dependent density functional theory (TD‐DFT) approach that can rapidly, as opposed to synthesis and experimental evaluation, estimate absorbance and emission. By calibrating these computational estimations of absorbance and emission to experimentally determined parameters for a panel of existing NIR dyes, we obtain calibration curves that can be used to accurately predict the effect of fine‐tuning modifications in new dyes. We demonstrate the predictive power of this calibrated dataset using seven previously unreported dyes, obtaining mean percent errors in absorbance and emission of 2.2 and 2.8 %, respectively. This approach provides a significant timesavings, relative to synthesis and evaluation of dye derivatives, and can be used to focus synthetic campaigns on the most promising dye structures. The new dyes described herein can be utilized for multiplexed imaging, and the experimentally calibrated dataset will provide the dye chemistry community with a means to rapidly identify fine‐tuned NIR dyes in silico to guide subsequent synthetic campaigns.
Finding a Deep‐UV Borate BaZnB4O8 with Edge‐sharing [BO4] Tetrahedra and Strong Optical Anisotropy
Authors: Han Jian , Liu Kaitong , Chen Long , Li Fuming , Yang Zhihua , Zhang Fangfang , Pan Shilie , Mutailipu Miriding 
Published: October 2022

AbstractThe polarization modulation of deep‐UV light is an important process that incorporates functionality to selectively respond to light‐mater interaction. Typically, optical anisotropy is foremost to the use efficiency of deep‐UV birefringent crystals. Herein, a new congruently melting polyborate with extremely large birefringence (Δn(001)=0.14@589.3 nm) and band gap (6.89 eV) is discovered as a high performance birefringent crystal, which breaks the current deadlock of deep‐UV polyborates that usually show small birefringence. The rigid tetrahedra, including [ZnO4] and edge‐sharing [BO4] tetrahedra, make all the planar [BO3] triangles in the lattice adopt preferential arrangement and thereby lead to an extraordinary large birefringence that is larger than all the deep‐UV borates with experimentally measured values. Structural analyses with the additional theoretical calculations were used to study the origin of strong optical anisotropy in BaZnB4O8.
An overview of mono‐ethylene glycol synthesis via CO coupling reaction: Catalysts, kinetics, and reaction pathways
Authors: Gor Nikhil K. , Chinthala Praveen Kumar , Das Asit , Vaidya Prakash D. 
Published: October 2022

AbstractMonoethylene glycol (MEG) is a promising chemical and a useful feedstock for the synthesis of several industrial products. The current commercial process of MEG production utilizes petroleum feedstock (ethylene) and an expensive catalyst, and the yield is low. Syngas is an attractive alternate feedstock for MEG. Syngas to MEG proceeds in two steps: the self‐closing, green step of carbonylation of alkyl nitrile to produce dialkyl oxalate, and further hydrogenation of oxalate to MEG. Many reviews which focused on catalyst development, reaction mechanisms, and process variables were published earlier. The present work covers the developments in the syngas‐to‐MEG synthesis process after 2014. It overviews the performance of novel catalyst systems reported in literature. A discussion on reaction pathways and kinetic models is also presented. This work will provide useful insight into syngas‐to‐MEG conversion.
Comparison of Treatment Efficiency and Energy Consumption of Batch and Continuous Electrocoagulation in Urban Wastewater
Authors: Yılmaz Alper Erdem , Sağsöz Yeşim Dede , Fil Baybars Ali , Yılmaz Murat Tolga 
Published: October 2022

AbstractIn this study, domestic wastewater was used as the electrolyte. The work was carried out with an up‐flow tubular reactor, made of stainless steel that was used as cathode, while the anode electrode material was aluminum and varying values of flow regime (25, 50, 75 and 100 mL/s for continuous system), initial pH value (5, 6, 7 and 7.8) and current intensity (10, 15 and 20 A) were applied. For domestic wastewater with natural pH, the effluent pH was >9 in the batch system, while in the continuous system the pH was 8–8.5. Likewise, while the effluent temperature was up to 60°C in the batch system, it was at most 35°C in the continuous system. However, the energy consumption values in the continuous system were considerably lower compared with the batch system. At a current intensity of 10 A, 80 kWh of energy per unit volume was consumed in the batch system, while it was 50 kWh for the continuous system. The present results show that the batch system can be used for small wastewater streams whereas the continuous system can be used for large wastewater streams for domestic wastewater treatment.
Effect of particularisation size on the accuracy and efficiency of a multiscale tumours' growth model
Authors: Varella Vinicius , Quintela Barbara de M. , Kasztelnik Marek , Viceconti Marco 
Published: October 2022

AbstractIn silico, medicine models are frequently used to represent a phenomenon across multiples space–time scales. Most of these multiscale models require impracticable execution times to be solved, even using high performance computing systems, because typically each representative volume element in the upper scale model is coupled to an instance of the lower scale model; this causes a combinatory explosion of the computational cost, which increases exponentially as the number of scales to be modelled increases. To attenuate this problem, it is a common practice to interpose between the two models a particularisation operator, which maps the upper‐scale model results into a smaller number of lower‐scale models, and an operator, which maps the fewer results of the lower‐scale models on the whole space–time homogenisation domain of upper‐scale model. The aim of this study is to explore what is the simplest particularisation / homogenisation scheme that can couple a model aimed to predict the growth of a whole solid tumour (neuroblastoma) to a tissue‐scale model of the cell‐tissue biology with an acceptable approximation error and a viable computational cost. Using an idealised initial dataset with spatial gradients representative of those of real neuroblastomas, but small enough to be solved without any particularisation, we determined the approximation error and the computational cost of a very simple particularisation strategy based on binning. We found that even such simple algorithm can significantly reduce the computational cost with negligible approximation errors.
Cation Engineering by Three‐Dimensional Organic Spacer Cations for Effective Defect Passivation in Perovskite Solar Cells
Authors: Shang Xueni , Zhang Boxue , Gao Deyu , Li Mengjia , Wang Chenglin , Meng Fanbin , Chen Cong 
Published: October 2022

AbstractLow‐dimensional additive engineering could effectively reduce the high‐density trap defect density and improve the stability of perovskite solar cells (PSCs). To avoid the limiting effect of charge carrier transfer by incorporating the large‐size long alkyl chain organic cations, we developed a new three‐dimensional organic spacer cation, 1,4‐diazabicyclo [2,2,2] octane‐1,4‐diium (DABCO2+), to passivate the defects and enhance the device stability. DABCO2+ with fine crystal structure and thermal stability could result in substantially fewer structural defects, enhance carrier lifetime, and inhibit nonradiative recombination loss. Structural analysis of CsFAPbI3 perovskite doped with different concentrations of the three‐dimensional organic spacer cations shows a clear correlation between the structure and the resultant perovskite films. Consequently, DABCO2+ modified CsFAPbI3‐based PSCs could achieve an optimized PCE of 23.02% with high stability exceeding 1500 h. This work opens a new approach to fabricating PSCs with enhanced stability for future commercial applications.
Considerations for Use of Pharmacodynamic Biomarkers to Support Biosimilar Development – (I) A Randomized Trial with PCSK9 Inhibitors
Authors: Sheikhy Morasa , Schrieber Sarah J. , Sun Qin , Gershuny Victoria , Matta Murali K. , Bai Jane P.F. , Du Xiulian , Vegesna Giri , Shah Aanchal , Prentice Kristin , Nalepinski Colleen , Zineh Issam , Wang Yow‐Ming , Strauss David G. , Florian Jeffry 
Published: October 2022

US Food and Drug Administration (FDA) guidance outlines how biosimilars can be developed based on pharmacokinetic (PK) and pharmacodynamic (PD) similarity study data in lieu of a comparative clinical efficacy study. There is a paucity of PD comparability studies in biosimilar development, leaving open questions about how best to plan these studies. To that end, we conducted a randomized, double‐blinded, placebo‐controlled, single‐dose, parallel‐arm clinical study in healthy participants to evaluate approaches to address information gaps, inform analysis best practices, and apply emerging technologies in biomarker characterization. Seventy‐two healthy participants (n = 8 per arm) received either placebo or one of four doses of the proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors alirocumab (15–100 mg) or evolocumab (21–140 mg) to evaluate the maximum change from baseline (ΔPDmax) and the baseline‐adjusted area under the effect curve (AUEC) for the biomarkers low‐density lipoprotein cholesterol (LDL‐C) and apolipoprotein B (apoB) in serum. We investigated approaches to minimize variability in PD measures. Coefficient of variation was lower for LDL‐C than apoB at therapeutic doses. Modeling and simulation were used to establish the dose–response relationship and provided support that therapeutic doses for these products are adequately sensitive and are on the steep part of the dose–response curves. Similar dose–response relationships were observed for both biomarkers. ΔPDmax plateaued at lower doses than AUEC. In summary, this study illustrates how pilot study data can be leveraged to inform appropriate dosing and data analyses for a PK and PD similarity study.
Antibacterial effects of natural compounds on biofilm formation of Streptococcus mutans
Authors: Kamarehei Farideh , Mehdiabadi Mohsen , Naderi Fariba 
Published: October 2022

AbstractStreptococcus mutans is the main cariogenic pathogen in the oral cavity, considered to contribute toward oral diseases. S. mutans is predominantly entrapped in plaque biofilms.ObjectivesIn this study, we surveyed the antibacterial activity of natural compounds in terms of the biofilm production of S. mutans.Material and MethodsWe extracted the studies related to natural compounds affected on S. mutans biofilm from different databases.ResultsDisruption of S. mutans viability in biofilms by a potent new pharmacological factor could inhibit and remove cavities. Various antibacterial agents are needed to destroy biofilms that remove both pathogens and commensal bacteria, and also exert inhibitory effects on many bacterial species.ConclusionsAn effective therapeutic agent for dental caries has to be capable of removing pathogens and their biofilms. Specific virulence attributes of S. mutans exist; hence, natural compounds that have excellent properties to combat such pathogens need to be selected.