bluuebunny/crossref_metadata_2025_split huggingface dataset:
Commissioning and validation of a Monte Carlo algorithm for spine stereotactic radiosurgery
Authors: Knill Cory , Sandhu Raminder , Loughery Brian , Lin Lifeng , Halford Robert , Drake Doug , Snyder Michael 
Published: July 2023

AbstractPurposeA 6FFF Monte Carlo (MC) dose calculation algorithm was commissioned for spine stereotactic radiosurgery (SRS). Model generation, validation, and ensuing model tuning are presented.MethodsThe model was generated using in‐air and in‐water commissioning measurements of field sizes between 10 and 400 mm2. Commissioning measurements were compared to simulated water tank MC calculations to validate output factors, percent depth doses (PDDs), profile sizes and penumbras. Previously treated Spine SRS patients were re‐optimized with the MC model to achieve clinically acceptable plans. Resulting plans were calculated on the StereoPHAN phantom and subsequently delivered to the microDiamond and SRSMapcheck to verify calculated dose accuracy. Model tuning was performed by adjusting the model's light field offset (LO) distance between physical and radiological positions of the MLCs, to improve field size and StereoPHAN calculation accuracy. Following tuning, plans were generated and delivered to an anthropomorphic 3D‐printed spine phantom featuring realistic bone anatomy, to validate heterogeneity corrections. Finally, plans were validated using polymer gel (VIPAR based formulation) measurements.ResultsCompared to open field measurements, MC calculated output factors and PDDs were within 2%, profile penumbra widths were within 1 mm, and field sizes were within 0.5 mm. Calculated point dose measurements in the StereoPHAN were within 0.26% ± 0.93% and −0.10% ± 1.37% for targets and spinal canals, respectively. Average SRSMapcheck per‐plan pass rates using a 2%/2 mm/10% threshold relative gamma analysis was 99.1% ± 0.89%. Adjusting LOs improved open field and patient‐specific dosimetric agreement. Anthropomorphic phantom measurements were within −1.29% ± 1.00% and 0.27% ± 1.36% of MC calculated for the vertebral body (target) and spinal canal, respectively. VIPAR gel measurements confirmed good dosimetric agreement near the target‐spine junction.ConclusionValidation of a MC algorithm for simple fields and complex SRS spine deliveries in homogeneous and heterogeneous phantoms has been performed. The MC algorithm has been released for clinical use.
Site‐Selective Direct Intermolecular C(sp3)−H Alkylation of Saccharides and Switching of Reaction Sites by Changing Photocatalysts
Authors: Li Yanru , Kuninobu Yoichiro 
Published: July 2023

AbstractWe developed a site‐selective intermolecular C(sp3)−H alkylation of saccharides with electron‐deficient alkenes using photocatalysis by anthraquinone and tetrabutylammonium decatungstate (TBADT). The main reaction site of anthraquinone‐catalyzed C(sp3)−H alkylation is determined by the weakness of the C−H bond. The reaction site can be switched by changing the photocatalyst to TBADT, and the site‐selectivity is controlled by the steric hindrance between the bulkier TBADT photocatalyst and the substituents of the saccharides. The reaction is compatible with several electron‐deficient alkenes and saccharides, and provides C‐saccharides in good yields. Furthermore, the monoalkylated product was obtained in excellent yield, even on the gram scale, under TBADT photocatalysis. Applicability was demonstrated by site‐selective C(sp3)−H alkylation of glycosyl derivatives. The reactions proceed via a site‐selective hydrogen atom transfer between the photocatalyst and saccharide, and the generated carbon radical reacts with an electron‐deficient alkene to give alkylated products.
A Modular Antibody‐Oligomer T Cell Engager for Applications in Local Therapies
Authors: Marple April S. T. , Jesmer Alexander H. , Lake Ben P. M. , Rullo Anthony F. , Wylie Ryan G. 
Published: July 2023

AbstractImmunotherapeutics, such as bispecific T cell engagers (BiTEs), have shown promise in cancer therapies, however their efficacy against solid tumors is hindered by transport barriers. Local therapies are being investigated to improve solid tumor immunotherapies and minimize systemic toxicity. Because local therapies bypass the circulatory system, drug properties can be optimized to further enhance local efficacy. Herein, the use of a larger BiTE‐like antibody‐oligomer conjugate is investigated, modular T cell engagers (MoTEs), to extend the duration of activity within local tissue mimics. Specifically, an anti‐CD3 antibody is modified with heterobifunctional ethylene oxide ((EO)4‐12) linkers, which are subsequently modified with cancer targeting ligands (CTLs). The (EO)x molecular weight and CTL grafting densities are optimized to achieve targeted cytotoxicity within in vitro co‐cultures against prostate‐specific membrane antigen (PSMA) positive and human epidermal growth factor receptor 2 (HER2) positive cancer cells. In local tissue models comprised of embedded PSMA positive spheroids in collagen‐hyaluronic acid hydrogels with T cells, it is demonstrated that MoTEs resulted in ≈2.5‐fold greater cytotoxicity toward cancer spheroids than a PSMA targeting BiTE at longer 12‐day timepoints. MoTEsmay therefore prove beneficial for local therapies by extending the duration of action after single‐dose administration and establishing simple synthetic protocols to target various cancer antigens.
High‐Speed Optoelectronic Graphene Sampler at 1.55 µm Reaching Intrinsic Performances
Authors: Tharrault M. , Grimaldi E. , Pommier D. , Hamidouche L. , Berger P. , Combrie S. , Baili G. , Rostischer M. , Taniguchi T. , Watanabe K. , Plaçais B. , Baudin E. , Legagneux P. 
Published: July 2023

AbstractOptoelectronic sampling is the ultimate method to perform ultra‐high frequency analog‐to‐digital conversion. Thanks to the ps photo‐thermo‐bolometric effect in high mobility hexagonal boron nitride (h‐BN) encapsulated graphene, a state‐of‐the‐art optoelectronic sampler over a 40 GHz bandwidth using a 4 ps pulsed laser is demonstrated. The superior transport and optoelectronic linearities of this graphene sampler lead to very high harmonic rejections below –43 dB above 20 GHz. With a physics‐based microscopic model, it is shown that harmonics are generated by optoelectronics saturation effects and only appear when carrier energy reaches that of optical phonons, which is very high in h‐BN encapsulated graphene. This device is the first ultra‐fast optoelectronic sampler based on the bolometric effect.
Turner syndrome may be associated with hepatic adenoma
Authors: Ching Alisha S. , Zhang Xiao , Furuya Katryn N. , Benoy Megan E. , Bartlett Heather L. 
Published: July 2023

AbstractTurner syndrome, caused by complete or partial loss of an X chromosome, is marked by a range of clinical manifestations including short stature, cardiovascular and renal disease. Hepatic involvement is an increasingly recognized concern. Steatosis and elevated transaminases are commonly observed in this population, but case reports have also described hepatic adenoma. Hepatic adenomas are rare, occurring in one per million people in the general population. They are typically benign but malignant transformation or rupture can occur. We sought to investigate whether Turner syndrome is associated with hepatic adenoma. Patients with Turner syndrome encountered at a single, academic institution between 2006 and 2020 were identified using ICD‐10 codes and demographic, medication, laboratory, and imaging data were analyzed. Of the 228 patients identified, 46.9% had liver function testing, which were abnormal in 48.6%. Five of 77 patients with hepatic imaging had abnormalities. Three patients (1.3%) had hepatic adenoma, one after presenting in hemorrhagic shock due to rupture. These findings suggest that patients with Turner syndrome may have an increased risk for developing hepatic adenoma. Annual monitoring of liver function tests is already recommended in Turner syndrome. The addition of periodic hepatic imaging may also be beneficial.
Impact of Electrostatic Interaction on Non‐radiative Recombination Energy Losses in Organic Solar Cells Based on Asymmetric Acceptors
Authors: Cui Yongjie , Zhu Peipei , Hu Huawei , Xia Xinxin , Lu Xinhui , Yu Shicheng , Tempeld Hermann , Eichel Rüdiger‐A. , Liao Xunfan , Chen Yiwang 
Published: July 2023

AbstractReducing non‐radiative recombination energy loss (ΔE3) is one key to boosting the efficiency of organic solar cells. Although the recent studies have indicated that the Y‐series asymmetric acceptors‐based devices featured relatively low ΔE3, the understanding of the energy loss mechanism derived from molecular structure change is still lagging behind. Herein, two asymmetric acceptors named BTP‐Cl and BTP‐2Cl with different terminals were synthesized to make a clear comparative study with the symmetric acceptor BTP‐0Cl. Our results suggest that asymmetric acceptors exhibit a larger difference of electrostatic potential (ESP) in terminals and semi‐molecular dipole moment, which contributes to form a stronger π–π interaction. Besides, the experimental and theoretical studies reveal that a lower ESP‐induced intermolecular interaction can reduce the distribution of PM6 near the interface to enhance the built‐in potential and decrease the charge transfer state ratio for asymmetric acceptors. Therefore, the devices achieve a higher exciton dissociation efficiency and lower ΔE3. This work establishes a structure‐performance relationship and provides a new perspective to understand the state‐of‐the‐art asymmetric acceptors.
Pathway Control of π‐Conjugated Supramolecular Polymers by Incorporating Donor‐Acceptor Functionality
Authors: Wang Fan , Liao Rui , Wang Feng 
Published: July 2023

AbstractControlling the nanoscale orientation of π‐conjugated systems remains challenging due to the complexity of multiple energy landscapes involved in the supramolecular assembly process. In this study, we have developed an effective strategy for programming the pathways of π‐conjugated supramolecular polymers, by incorporating both electron‐rich methoxy‐ or methanthiol‐benzene as donor unit and electron‐poor cyano‐vinylenes as acceptor units on the monomeric structure. It leads to the formation of parallel‐stacked supramolecular polymers as the metastable species through homomeric donor/acceptor packing, which convert to slip‐stacked supramolecular polymers as the thermodynamically stable species facilitated by heteromeric donor‐acceptor packing. By further investigating the external seed‐induced kinetic‐to‐thermodynamic transformation behaviors, our findings suggest that the donor‐acceptor functionality on the seed structure is crucial for accelerating pathway conversion. This is achieved by eliminating the initial lag phase in the supramolecular polymerization process. Overall, this study provides valuable insights into designing molecular structures that control aggregation pathways of π‐conjugated nanostructures.
Self‐Growing Organic Materials
Authors: Xiong Xinhong , Wang Hong , Xue Lulu , Cui Jiaxi 
Published: July 2023

AbstractThe growth of living systems is ubiquitous. Living organisms can continually update their sizes, shapes, and properties to meet various environmental challenges. Such a capability is also demonstrated by emerging self‐growing materials that can incorporate externally provided compounds to grow as living organisms. In this Minireview, we summarize these materials in terms of six aspects. First, we discuss their essential characteristics, then describe the strategies for enabling crosslinked organic materials to self‐grow from nutrient solutions containing polymerizable compounds. The developed examples are grouped into five categories based on their molecular mechanisms. We then explain the mechanism of mass transport within polymer networks during growth, which is critical for controlling the shape and morphology of the grown products. Afterwards, simulation models built to explain the interesting phenomena observed in self‐growing materials are discussed. The development of self‐growing materials is accompanied by various applications, including tuning bulk properties, creating textured surfaces, growth‐induced self‐healing, 4D printing, self‐growing implants, actuation, self‐growing structural coloration, and others. These examples are then summed up. Finally, we discuss the opportunities brought by self‐growing materials and their facing challenges.
Chemically Fueled Communication Along a Scaffolded Nanoscale Array of Squaramides
Authors: Martínez‐Crespo Luis , Vitórica‐Yrezábal Iñigo J. , Whitehead George F. S. , Webb Simon J. 
Published: July 2023

AbstractRelaying conformational change over several nanometers is central to the function of allosterically regulated proteins. Replicating this mechanism artificially would provide important communication tools, but requires nanometer‐sized molecules that reversibly switch between defined shapes in response to signaling molecules. In this work, 1.8 nm long rigid rod oligo(phenylene‐ethynylene)s are scaffolds for switchable multi‐squaramide hydrogen‐bond relays. Each relay can adopt either a parallel or an antiparallel orientation relative to the scaffold; the preferred orientation is dictated by a director group at one end. An amine director responded to proton signals, with acid‐base cycles producing multiple reversible changes in relay orientation that were reported by a terminal NH, which is 1.8 nm distant. Moreover, a chemical fuel acted as a dissipative signal. As the fuel was consumed, the relay reverted to its original orientation, illustrating how information from out‐of‐equilibrium molecular signals can be communicated to a distant site.
Voltage‐Mediated Water Dynamics Enables On‐Demand Transport of Sugar Molecules in Two‐Dimensional Channels
Authors: Zhu Shanyi , Zhao Xiaoli , Shi Yayun , Wu Yuchen , Zhang Bowen , Liu Congcong , Pan Zhenghui , Zuo Zhijun , Yang Xiaowei 
Published: July 2023

AbstractThe constructing of artificial channels with gating functions is an important undertaking for gaining insight into biological process and achieving efficient bionic functions. Typically, controllable transport within such channels relies on either electrostatic or specific interactions between the transporting species and the channel. However, for molecules with weak interactions with the channel, achieving precise gating of the transport remains a significant challenge. In this regard, this study proposes a voltage gating membrane of two‐dimensional channels that selectively transport of neutral molecules glucose with a dimension of 0.60 nm. The permeation of glucose is switched on/off by electrochemically manipulating the water dynamics in the nanochannel. Voltage driven‐intercalation of ion into the two‐dimensional channel causes water to stratify and move closer to the channel walls, thereby resulting in the channel center being emptier for glucose diffusion. Due to the sub‐nanometer size dimension of the channel, selective permeation of glucose over sucrose is also achieved in this approach.
Artificial Urinary Biomarkers for Early Diagnosis of Acute Renal Allograft Rejection
Authors: Cheng Penghui , Wang Rending , He Shasha , Yan Pengpeng , Huang Hongfeng , Chen Jianghua , Shen Jia , Pu Kanyi 
Published: July 2023

AbstractAcute renal allograft rejection (ARAR) after kidney transplantation associated with reduced graft survival and eventual graft failure is poorly diagnosed in hospitals. Here, we report the development of Artificial bioMarker Probes (AMPros) for sensitive urinalysis of ARAR in murine models. AMPros spontaneously go to the kidneys after systemic administration, specifically react with the prodromal immune biomarkers to activate their near‐infrared fluorescence signals to report cell‐mediated rejection, and efficiently undergo renal excretion into urine. Thus, AMPros enable convenient optical urinalysis that detects ARAR prior to histological manifestation of rejection, which is also earlier than current diagnostic methods measuring proinflammatory cytokines and peripheral blood lymphocyte mRNAs. Due to the high kidney specificity, AMPros‐based urinalysis discriminates allograft rejection against other non‐alloimmune specific diseases, which is unattainable by measurement of serological biomarkers. Such a noninvasive and sensitive urine test holds great promise in continuous monitoring of renal allograft conditions at low resource settings for timely clinical interventions.
Polymerization Induced Microphase Separation for the Fabrication of Nanostructured Materials
Authors: Lee Kenny , Corrigan Nathaniel , Boyer Cyrille 
Published: July 2023

AbstractPolymerization induced microphase separation (PIMS) is a strategy used to develop unique nanostructures with highly useful morphologies through the microphase separation of emergent block copolymers during polymerization. In this process, nanostructures are formed with at least two chemically independent domains, where at least one domain is composed of a robust crosslinked polymer. Crucially, this synthetically simple method is readily used to develop nanostructured materials with the highly coveted co‐continuous morphology, which can also be converted into mesoporous materials by selective etching of one domain. As PIMS exploits a block copolymer microphase separation mechanism, the size of each domain can be tightly controlled by modifying the size of block copolymer precursors, thus providing unparalleled control over nanostructure and resultant mesopore sizes. Since its inception 11 years ago, PIMS has been used to develop a vast inventory of advanced materials for an extensive range of applications including biomedical devices, ion exchange membranes, lithium‐ion batteries, catalysis, 3D printing, and fluorescence‐based sensors, among many others. In this review, we provide a comprehensive overview of the PIMS process, summarize latest developments in PIMS chemistry, and discuss its utility in a wide variety of relevant applications.
Association of Radical Chemistry with LanD Flavoprotein Activity for C‐Terminal Macrocyclization of a Ribosomal Peptide by Formation of an Unsaturated Thioether Residue
Authors: Cheng Botao , Huang Jiwu , Duan Yuting , Liu Wen 
Published: July 2023

AbstractLanD flavoproteins catalyze oxidative decarboxylation of the C‐terminal Cys residue of a peptide to produce an enethiol. This enethiol is highly reactive and can be coupled with an upstream dehydroamino acid through Michael addition to form S‐[2‐aminovinyl](3‐methyl)cysteine, an unsaturated thioether residue known to be characteristic of an array of C‐terminally macrocyclized, ribosomally synthesized and posttranslationally modified peptides (RiPPs). Based on a two‐stage bioinformatics mining of posttranslational modifications (PTMs) related to C‐terminal Cys processing, we report herein that LanD activity can couple with radical S‐adenosylmethionine chemistry to provide a new unsaturated thioether residue, S‐[2‐aminovinyl]‐3‐carbamoylcysteine, by conjugating the resultant enethiol with Cβ of the Asn residue in the C‐terminal NxxC motif of a peptide for macrocyclization. This study furthers our understanding of the variety of PTMs involved in creating the structure diversity of macrocyclic RiPPs.
Translating Imaging Nanoprobes Design to the Clinic
Authors: Sun Wenbo , Tian Geng , Lu Lehui 
Published: July 2023

AbstractThe use of nanoprobes has revolutionized the way we approach medical diagnosis and treatment. These tiny particles are designed to target specific cells or tissues within the body, allowing doctors to visualize and monitor disease progression in real‐time. The paramount consideration in the utilization of nanoprobes is their safety. Unlike traditional contrast agents, which can cause adverse reactions in some patients, these probes are specifically engineered to minimize any potential harm. And it can promote the rapid development of new biological imaging techniques in various fields such as biological structure and functional imaging, disease diagnosis, in situ imaging, and real‐time dynamic imaging at the in vivo level. Based on the principles and mechanisms of imaging, this study focuses on the recent applications of nanoprobes for several typical imaging techniques (magnetic resonance imaging, computed tomography imaging, fluorescence imaging, and acoustic imaging) with the aim of providing researchers with a fresh perspective on precise disease diagnosis and treatment through the development of nanoprobes.
The effect of mercerization on water conductivity in cotton fabrics and its regulation
Authors: Ke Yushi , Guo Heng , Huang Hongbo , Wang Yunli , Xu Weilin 
Published: July 2023

AbstractMercerization had been widely used in the textile industry because of its simplicity and ability to improve the luster, strength, and dyeing properties of cotton fabrics. However, the water transfer behavior of mercerized cotton fabrics had not been systematically investigated. In this work, cotton fabrics were treated with different concentrations of alkali (130 and 260 g/L) for structural characterization (scanning electron microscopy [SEM], Fourier transform infrared [FTIR]), water absorption (vertical wicking height), moisture absorption (moisture return rate), water retention, and so forth, and were compared with industrial mercerized cotton. It meant that water absorbency and water holding capacity of mercerized cotton textiles were improved by reducing surface impurity, increasing amorphous region, and increasing the number of free hydroxyl groups. It was easier for water molecules to move through the fabric as the vertical wicking height increased. Research showed that the water absorption and water transfer properties of cotton fabrics were related to the alkali concentration in the mercerized treatment, and a comparison with industrial mercerized cotton also proved this point. It also showed that the amount of tension had an effect on water transfer in the fabric, which provided further precision in regulating the mercerization process, improving the thermal comfort of mercerized fabrics, and achieving the aim of regulating the mercerization process according to market demand and environmental influences.
Fluid protein fold space and its implications
Authors: Porter Lauren L. 
Published: July 2023

AbstractFold‐switching proteins, which remodel their secondary and tertiary structures in response to cellular stimuli, suggest a new view of protein fold space. For decades, experimental evidence has indicated that protein fold space is discrete: dissimilar folds are encoded by dissimilar amino acid sequences. Challenging this assumption, fold‐switching proteins interconnect discrete groups of dissimilar protein folds, making protein fold space fluid. Three recent observations support the concept of fluid fold space: (1) some amino acid sequences interconvert between folds with distinct secondary structures, (2) some naturally occurring sequences have switched folds by stepwise mutation, and (3) fold switching is evolutionarily selected and likely confers advantage. These observations indicate that minor amino acid sequence modifications can transform protein structure and function. Consequently, proteomic structural and functional diversity may be expanded by alternative splicing, small nucleotide polymorphisms, post‐translational modifications, and modified translation rates.