bluuebunny/crossref_metadata_2025_split huggingface dataset:
Remotely triggered curcumin release from stimuli‐responsive magneto‐polymericlayer‐by‐layerengineered nanoplatforms
Authors: Jardim Katiúscia Vieira , Palomec‐Garfias Abraham F. , Araújo Marcus Vinícius , Márquez‐Beltrán César , Bakuzis Andris Figueiroa , Moya Sergio Enrique , Parize Alexandre Luis , Sousa Marcelo Henrique 
Published: February 2022

AbstractCurcumin is a promising natural drug in cancer therapy. However, its therapeutic applicability is limited by its low solubility, short half‐life, and low bioavailability. In this work curcumin is encapsulated in stimuli‐responsive magneto‐polymeric nanoplatforms aiming at improving its bioavailability and efficiency for delivery in biological media. MnFe2O4magnetic nanoparticles (MNPs) were synthesized via thermal decomposition, coated with sodium citrate and then functionalized with multilayers of chitosan and sodium alginate, by means of the layer‐by‐layer deposition technique. A mesoporous polymeric‐magnetic nanoplatform was produced capable of a controlled and sustained release of curcumin under temperature, pH and alternating magnetic field (magnetic hyperthermia) stimuli. As the temperature and pH of the medium increased, an increase in the rate of curcumin release was observed in a two‐stage process, following the Gallagher‐Corrigan mathematical model. The use of magnetic hyperthermia resulted in a faster diffusion‐based release of curcumin. Increasing the number of polymer layers assembled on top of MNPs hinders the release of the curcumin molecules from innermost regions of the multilayers. These results show that magnetic hyperthermia provides a means for the controlled heat‐induced release of curcumin, which can lead to an enhanced therapeutic action for curcumin.
First‐in‐class pyrido[2,3‐d]pyrimidine‐2,4(1H,3H)‐diones against leishmaniasis and tuberculosis: Rationale, in vitro, ex vivo studies and mechanistic insights
Authors: Ramesh Deepthi , Sarkar Deblina , Joji Annu , Singh Monica , Mohanty Amaresh K. , G. Vijayakumar Balaji , Chatterjee Mitali , Sriram Dharmarajan , Muthuvel Suresh K. , Kannan Tharanikkarasu 
Published: February 2022

AbstractPyrido[2,3‐d]pyrimidine‐2,4(1H,3H)‐diones were synthesized, for the first time, from indole chalcones and 6‐aminouracil, and their ability to inhibit leishmaniasis and tuberculosis (Tb) infections was evaluated. The in vitro antileishmanial activity against promastigotes of Leishmania donovani revealed exceptional activities of compounds 3, 12 and 13, with IC50 values ranging from 10.23 ± 1.50 to 15.58 ± 1.67 µg/ml, which is better than the IC50 value of the standard drug pentostam of 500 μg/ml. The selectivity of the compounds towards Leishmania parasites was evaluated via ex vivo studies in Swiss albino mice. The efficiency of these compounds against Tb infection was then evaluated using the in vitro anti‐Tb microplate Alamar Blue assay. Five compounds, 3, 7, 8, 9 and 12, showed MIC100 values against the Mycobacterium tuberculosis H37Rv strain at 25 µg/ml, and compound 20 yielded an MIC100 value of 50 µg/ml. Molecular modelling of these compounds highlighted interactions with binding sites of dihydrofolate reductase, pteridine reductase and thymidylate kinase, thus establishing the rationale of their pharmacological activity against both pathogens, which is consistent with the in vitro results. From the above results, it is clear that compounds 3 and 12 are promising lead candidates for Leishmania and Mycobacterium infections and may be promising for coinfections.
Initial energy of a spatially flat universe: A hint of its possible origin
Authors: Melia Fulvio 
Published: February 2022

AbstractThe evidence for a Big Bang origin of the universe is truly compelling, though its cause remains a complete mystery. As the cosmic spacetime is revealed to us with ever‐improving detail, however, we are beginning to refine the range of its possible initial conditions—at least within the framework of current physical theories. The universe, it seems, is spatially flat, and here we discuss in clear, straightforward terms why this trait implies a cosmos with zero kinetic plus gravitational energy, though apparently not zero total energy. Such an outcome has far reaching consequences because of the possibility that the universe may have begun its existence as a quantum fluctuation. Was this from “nothing,” or perhaps a preexisting vacuum? A nonzero total energy would seemingly preclude the former scenario, but not necessarily the latter, though this would then raise the question of how a fluctuation with nonzero energy could have lived long enough, or classicalized, for us to see it 13.5 billion years later. The high‐precision measurement of the universe's spatial curvature may thus constitute the first tangible piece of evidence impacting a possible quantum beginning.
Glymphatic system function in patients with newly diagnosed focal epilepsy
Authors: Lee Dong Ah , Park Bong Soo , Ko Junghae , Park Si hyung , Park Jin‐Han , Kim Il Hwan , Lee Yoo Jin , Park Kang Min 
Published: February 2022

AbstractIntroductionThe aim of this study was to analyze the glymphatic system function and its relationship with clinical characteristics, global diffusion tensor imaging (DTI) parameters, and global structural connectivity in treatment‐naïve patients with newly diagnosed focal epilepsy.MethodsThis retrospective single‐center study investigated patients with focal epilepsy and healthy controls. All participants underwent routine brain magnetic resonance imaging and DTI. DTI analysis along the perivascular space (DTI‐ALPS) was used to evaluate glymphatic system function. We also calculated the measures of global DTI parameters, including whole‐brain fractional anisotropy (FA), mean diffusivity (MD), axial diffusivity (AD), and radial diffusivity (RD), and performed a graph theoretical network analysis to measure global structural connectivity.ResultsA total of 109 patients with focal epilepsy and 88 healthy controls were analyzed. There were no significant differences in the DTI‐ALPS index (1.67 vs. 1.68, p = 0.861) between the groups. However, statistically significant associations were found between the DTI‐ALPS index and age (r = ‐0.242, p = 0.01), FA (r = 0.257, p = 0.007), MD (r = −0.469, p < 0.001), AD (r = −0.303, p = 0.001), RD (r = −0.434, p < 0.001), and the assortative coefficient (r = 0.230, p = 0.016) in patients with focal epilepsy.ConclusionThe main finding of this study is that DTI‐ALPS index is significantly correlated with global DTI parameters and structural connectivity measures of the brain in patients with focal epilepsy. In addition, DTI‐ALPS index decreases with age in these patients. We conclude that the DTI‐ALPS index can be used to investigate glymphatic system function in patients with focal epilepsy.
Rippled Sheets: The Early Polyglycine Days and Recent Developments in Nylons
Authors: Lotz Bernard 
Published: February 2022

AbstractThe rippled sheet structure is a remarkable insight due to Pauling and Corey, that supplements the pleated sheet structure of homochiral proteins introduced in 1951. Whereas the pleated sheet was immediately adopted by the scientific community, the rippled sheet has remained more confidential since it applies only to blends of poly(L‐peptides) and poly(D‐peptides). The present account tells the intimate but patchy relationship developed by the author with the rippled sheet. In the 1970s, twenty years after Pauling and Corey's proposal, the rippled sheet was recognized as a valid model for the sheet structure of the achiral polyglycine, polyglycine I, which helped improve the structure of Bombyx mori silk fibroin. Very recently, pleated and rippled sheets were found to account for unsolved crystal structures of a variety of nylons. These structures help to explain a mysterious high temperature “Brill transition” first reported in nylon 6–6 by Brill in 1942.
Solid‐Phase Synthesis and Application of a Clickable Version of Epoxomicin for Proteasome Activity Analysis
Authors: Salazar‐Chaparro Andres F. , Halder Saayak , Maresh Marianne E. , Trader Darci J. 
Published: February 2022

AbstractDegradation of proteins by the proteasome is an essential cellular process and one that many wish to study in a variety of disease types. There are commercially available probes that can monitor proteasome activity in cells, but they typically contain common fluorophores that limit their simultaneous use with other activity‐based probes. In order to exchange the fluorophore or incorporate an enrichment tag, the proteasome probe likely has to be synthesized which can be cumbersome. Here, we describe a simple synthetic procedure that only requires one purification step to generate epoxomicin, a selective proteasome inhibitor, with a terminal alkyne. Through a copper‐catalyzed cycloaddition, any moiety containing an azide can be incorporated into the probe. Many fluorophores are commercially available that contain an azide that can be “clicked”, allowing this proteasome activity probe to be included into already established assays to monitor both proteasome activity and other cellular activities of interest.
Nocardia asteroides occipital abscess as a cause of lupus nephritis?
Authors: Essien Francis , Wolfley Graey , Tate Joshua , Latack Wayne , Carroll Matthew 
Published: February 2022

AbstractSystemic lupus erythematosus (SLE) is a multisystem disease with a complex etiology, which manifests in a multitude of manners. We present a case of lupus nephritis in a patient who developed complications of immunosuppressive treatment with eventual resolution of her nephritis following cure of her Nocardia brain abscess.
A case of a verrucous and pseudotumoral mass on the leg that resolved with cryotherapy
Authors: Rekik Mariem , Sellami Khadija , Amouri Mariem , Makni Saadia , Gouiaa Naourez , Boudaouara Tahya , Turki Hamida 
Published: February 2022

AbstractVarious clinical forms of cutaneous leishmaniasis can be encountered such as: ulcerated, lupoïd, sporotrichoïd and other rare forms (eczematiform, erysipeloid, psoriasiform, verrucous, and pseudotumoral). We report an atypical presentation of verrucous and pseudotumoral cutaneous leishmaniasis that resolved following a course of cryotherapy.
Rectal carcinoma revealed by isolated mixed bone metastases
Authors: Slouma Maroua , Abbes Maissa , Dhahri Rim , Gueddiche Nour Elhouda , Msekni Issam , Gharsallah Imen , Metoui Leila , Louzir Bassem 
Published: February 2022

AbstractIsolated bone metastases secondary to rectal neoplasia are scarce. Radiographic findings may include lytic, sclerotic, or mixed lesions. We presented a case of rectal carcinoma revealed by isolated osseous metastases. We emphasize the radiological features of mixed bone metastases with the differential diagnoses that may be raised.
Self‐correction of a migrated power‐injectable peripherally inserted central catheter following contrast‐enhanced computed tomography
Authors: Nakayama Ryuichi , Bunya Naofumi , Yama Naoya , Nonaka Tatsuki 
Published: February 2022

AbstractThe use of power‐injectable peripherally inserted central catheter (PIPICC) is a common practice, but displacement of these lines following injection of contrast media has been reported in 15.4% of cases. This report presents imaging evidence of displacement and self‐correction of a PIPICC line following contrast‐enhanced computed tomography.
Properties of Bromine Fused Salts Based on Quaternary Ammonium Molecules and Their Relevance for Use in a Hydrogen Bromine Redox Flow Battery
Authors: Küttinger Michael , Loichet Torres Paulette A. , Meyer Emeline , Fischer Peter 
Published: February 2022

AbstractBromine complexing agents (BCA) in aqueous electrolytes for hydrogen bromine flow batteries are used to reduce bromine‘s vapour pressure, while an insoluble and liquid fused salt is formed. The properties (concentrations, composition, conductivity and viscosity) of this fused salt are investigated in this study systematically ex situ by using 7 BCAs at different state of charge in HBr/Br2/H2O electrolytes with a theoretical capacity of 179.6 Ah L−1. Bromine is stored in the fused salt at concentrations up to 13.6 M, reaching theoretical volumetrical capacities up to 730 Ah L−1 in fused salts. The fused salt consists of a pure, bromine‐ and water‐free ionic liquid of organic [BCA]+ cations and polybromides, and its conductivity bases on a hopping mechanism among the polybromides. Alkyl side chain length of the BCAs and distribution of polybromides influence strongly the conductivity and viscosity of the fused salts. 1‐ethylpyridin‐1‐iumbromide results to be favoured BCA for application.
Designable Guest‐Molecule Encapsulation in Metal–Organic Frameworks for Proton Conductivity
Authors: Wang Feng‐Dong , Wang Bin‐Cheng , Hao Biao‐Biao , Zhang Chen‐Xi , Wang Qing‐Lun 
Published: February 2022

AbstractMetal–organic frameworks (MOFs), as a porous frame material, exhibit considerable electrical conductivity. In recent decades, research on the proton conductivity of MOFs has made gratifying progress. In this review, the designable guest molecules encapsulated into MOFs are summarized and generalized into four types in terms of promoting proton conductive performance, and then recent progress in the promotion of proton conductivity by MOFs encapsulating guest molecules is discussed. The existing challenges and prospects for the development of this strategy for promoting MOFs’ proton conductivity are also listed.
Tribo‐Excited Chemical Reaction Using an EuIII Complex with a Stacked Anthracene Framework
Authors: Kitagawa Yuichi , Naito Ayu , Aikawa Kota , Shima Kaori , Shoji Sunao , Fushimi Koji , Hasegawa Yasuchika 
Published: February 2022

AbstractA spin‐selective tribo‐chemical reaction using a dinuclear lanthanide complex is demonstrated for the first time. The dinuclear complex is composed of two EuIII ions, hexafluoroacetylacetonato ligands, and anthracene‐based phosphine oxide bridges. Single‐crystal analysis revealed a face‐to‐face‐type anthracene dimer structure in the dinuclear EuIII complex. Mechanical stimulus on the dinuclear EuIII complex induced selective formation of oxidized anthracene. The tribo‐chemical reaction is based on a characteristic energy‐transfer pathway for the selective formation of an excited triplet state.
Synthetic Antibody‐Rhamnose Cluster Conjugates Show Potent Complement‐Dependent Cell Killing by Recruiting Natural Antibodies
Authors: Ou Chong , Prabhu Sunaina Kiran , Zhang Xiao , Zong Guanghui , Yang Qiang , Wang Lai‐Xi 
Published: February 2022

AbstractMonoclonal antibodies (mAbs) are one of the most rapidly growing drug classes used for the treatment of cancer, infectious and autoimmune diseases. Complement‐dependent cytotoxicity (CDC) is one of the effector functions for antibodies to deplete target cells. We report here an efficient chemoenzymatic synthesis of structurally well‐defined conjugates of a monoclonal antibody with a rhamnose‐ and an αGal trisaccharide‐cluster to recruit natural anti‐rhamnose and anti‐αGal antibodies, respectively, to enhance the CDC‐dependent targeted cell killing. The synthesis was achieved by using a modular antibody Fc‐glycan remodeling method that includes site‐specific chemoenzymatic Fc‐glycan functionalization and subsequent click conjugation of synthetic rhamnose‐ and αGal trisaccharide‐cluster to provide the respective homogeneous antibody conjugates. Cell‐based assays indicated that the antibody‐rhamnose cluster conjugates could mediate potent CDC activity for targeted cancer cell killing and showed much more potent efficacy than the antibody‐αGal trisaccharide cluster conjugates for CDC effects.
A modeling framework for computational simulations of thoracic endovascular aortic repair
Authors: Shahbazian Negin , Doyle Matthew G. , Forbes Thomas L. , Amon Cristina H. 
Published: February 2022

AbstractThoracic endovascular aortic repair (TEVAR) is a minimally invasive treatment for thoracic aortic conditions including aneurysms and is associated with a number of postoperative stent graft related complications. Computational simulations of TEVAR have the potential to predict surgical outcomes and complications preoperatively. When using simulations for stent graft design and prediction of complications in a population, it is difficult to generalize patient‐specific TEVAR computational models due to patient variability. This study proposes a novel modeling framework for creating realistic population‐based computational models of TEVAR focused on aneurysms that allow for developing various clinically relevant geometric configurations and scenarios that are not easily attainable with limited patient data. The framework includes a methodology for developing population‐based thoracic aortic geometries and defining age‐dependent aortic tissue material models, as well as detailed steps and boundary conditions for finite element modeling of stent graft deployment during TEVAR. The simulation framework is illustrated for predicting the formation of a bird‐beak configuration, a wedge‐shaped gap at the proximal end of the deployed stent graft in TEVAR that leads to incomplete seal. A baseline TEVAR simulation model was developed along with three simulations in which the value of aortic curvature, aortic arch angle, or aortic tissue properties varied from the baseline model. Analyzing the length and angle of the bird‐beak configuration in each case shows that the bird‐beak size is sensitive to different values of the aortic geometry highlighting the importance of using realistic parameter values.
Mechanistic Investigation of H2O2‐dependent Chemiluminescence from Tetrabromo‐1,4‐Benzoquinone
Authors: Quan Zhuo , Mao Li , Tang Yi‐Qi , Lei Ming , Zhu Ben‐Zhan , Liu Ya‐Jun 
Published: February 2022

AbstractAs a H2O2‐dependent bioluminescent substrate, tetrabromo‐1,4‐benzoquinone (TBBQ) was first isolated from acorn worm. The mechanism of chemiluminescence (CL) corresponding to the bioluminescence (BL) of acorn worm is largely unknown, let alone the mechanism of BL. In this article, we firstly studied the chemical and physical processes, and mechanism of H2O2‐dependent CL from TBBQ by theoretical and experimental methods. The research results indicate: the CL process is initiated by a nucleophilic substitution reaction, which leads to the formation of an anionic dioxetane through five consecutive reactions; the anionic dioxetane decomposes to the first singlet excited state (S1) via a conical interaction of the potential energy surfaces (PESs) between the ground (S0) and S1 state; the anionic S1‐state changes to its neutral form by a proton transfer from the solvent and this neutral product is assigned as the actual luminophore. Moreover, the experimental detection of CL, .OH and the identifications of 2,3‐dibromo maleic acid and 2‐bromo malonic acid as the major final products provide direct evidence of the theoretically suggested mechanism. Finally, this study proves that the activity of the H2O2‐dependent CL from TBBQ is significantly lower than the one from tetrachloro‐1,4‐benzoquinone (TCBQ), which is caused by the weaker electron withdrawing effect and the stronger heavy atomic effect of bromine.
Recent advancement in drug development of nitro(NO2)‐heterocyclic compounds as lead scaffolds for the treatment of Mycobacterium tuberculosis
Authors: Scarim Cauê Benito , Pavan Fernando Rogério 
Published: February 2022

AbstractTuberculosis (TB) is an infectious disease caused predominantly by Mycobacterium tuberculosis (Mtb). It was responsible for approximately 1.4 million deaths worldwide in 2019. The lack of new drugs to treat drug‐resistant strains is a principal factor for the slow rise in TB infections. Our aim is to aid the development of new TB treatments by describing improvements (last decade, 2011–2021) to nitro(NO2)‐based compounds that have shown activity or pharmacological properties (e.g., anti‐proliferative, anti‐kinetoplastid) against Mtb. For all compounds, we have included final correlations of minimum inhibitory concentrations against Mtb (H37Rv).
A variation in SORBS1 is associated with type 2 diabetes and high‐density lipoprotein cholesterol in Chinese population
Authors: Gong Siqian , Huo Shaofeng , Luo Yingying , Li Yufeng , Ma Yumin , Huang Xiuting , Hu Mengdie , Liu Wei , Zhang Rui , Cai Xiaoling , Zhou Lingli , Chen Ling , Ren Qian , Zhang Simin , Zhu Yu , Zhang Xiuying , Chen Jing , Wu Jing , Zhou Xianghai , Lin Xu , Han Xueyao , Ji Linong 
Published: February 2022

AbstractAimSorbin and SH3‐domain‐containing‐1 (SORBS1) play important roles in insulin signalling and cytoskeleton regulation. Variants of the SORBS1 gene have been inconsistently reported to be associated with type 2 diabetes or diabetic kidney disease (DKD).MethodsTwo independent case‐control studies based on two randomized sampling cohorts (cohort 1, n = 3345; cohort 2, n = 2282) were used to confirm the association between rs2281939 of SORBS1 and impaired glucose regulation (IGR). An additional hospital‐based cohort (cohort 3, n = 2135) and cohort 1 were used to investigate the association between rs2281939 and DKD. The phenotype of rare variants of SORBS1 was explored in 453 patients with early onset type 2 diabetes (diagnosed before 40 years of age, EOD).ResultsThe G allele was associated with type 2 diabetes (additive model: OR = 1.25, 95% CI [1.03–1.52], p = 0.022) in cohort 1, and IGR in cohort 2 (additive model: OR = 1.22, 95% CI [1.05–1.43], p = 0.01). We found that the G allele was also associated with HDL‐c levels in women in both cohort 1 (p = 0.03) and 2 (p = 0.029) in the dominant model. The rare variant carriers also had lower HDL‐c and LDL‐c levels than non‐carriers in patients with EOD. No association between rs2281939 or rare variants and DKD was observed.ConclusionsThe variants in the SORBS1 gene were associated with IGR and HDL‐c levels but not with DKD in the Chinese Han population.