bluuebunny/crossref_metadata_2025_split huggingface dataset:
Antioxidant‐enriched gluten‐free bread made with buckwheat flour: Evaluation of technological and nutritional quality
Authors: Brites Lara T. G. F. , Rebellato Ana P. , Meinhart Adriana D. , Godoy Helena Teixeira , Steel Caroline J. 
Published: May 2022

AbstractBackground and ObjectivesBuckwheat is a pseudocereal that has been considered a potential ingredient in bakery products, mainly due to its composition. Many bioactive compounds are found in the outer layers of the grain. This study aimed to produce gluten‐free breads using refined buckwheat flour (RBF) and whole‐grain buckwheat flour (WBF). Three formulations were developed: F1 (100%‐RBF); F2 (70%‐RBF and 30%‐WBF); and F3 (55%‐RBF and 45%‐WBF). The flours were evaluated for pasting, thermal, and thermomechanical properties. The breads were characterized for specific volume, color, moisture content, water activity, firmness, total reducing capacity, antioxidant capacity, rutin and quercetin levels, protein content, in vitro protein digestibility, in vitro starch digestibility, and sensory acceptance.FindingsRBF presented superior results for pasting and thermomechanical properties, with no significant difference for thermal properties. Breads from formulation F1 had greater specific volume, lower firmness, higher protein digestibility, and better sensory acceptance, when compared to F2 and F3. However, the incorporation of WBF to F2 and F3 led to an increase in rutin and quercetin levels, total reducing capacity, antioxidant capacity, and total protein content. Principal components analysis showed a clear distinction between formulations with and without WBF, and how the parameters evaluated were dependent on the composition of the buckwheat flour used for bread preparation.ConclusionsRBF and WBF flours proved to be promising ingredients for the preparation of gluten‐free breads with nutritional improvement.Significance and NoveltyData on the use of WBF and nutritional characteristics of breads were obtained. Future studies should evaluate the presence of antinutritional compounds.
Modeling and optimization of phycoremediation of heavy metals from simulated ash pond water through robust hybrid artificial intelligence approach
Authors: Sarkar Biswajit , Dutta Susmita , Lahiri Sandip Kumar 
Published: May 2022

AbstractIn thermal power plants, ash pond water is being polluted with heavy metals such as Lead (II), Nickel (II), Manganese (II), Cadmium (II), Chromium (VI), and so on, through leaching from coal ash and this can eventually contaminate the groundwater. In the present study, a consortium consisting of a cyanobacterium Synechococcus sp. and green algae Chlorella sp. was used for phycoremediation of such heavy metals from simulated ash pond water. The concentrations of metals, pH and days were varied during experimentation. An accurate data‐driven artificial neural network (ANN) model was developed with the experimental data to find a relation between the input variables of the phycoremediation process with the percentage removal of the pollutants and amount of biomass produced. The optimum ANN design and ANN algorithm were evaluated using an automatic exhaustive search technique. To maximize metal removal and biomass production, a hybrid artificial neural network‐simulated annealing (ANN‐SA) optimization technique was applied to determine optimal values of input parameters. The established modeling and optimization technique is generic and can be applied to any other experimental study.
Real‐Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields**
Authors: Shteingolts Sergey A. , Stash Adam I. , Tsirelson Vladimir G. , Fayzullin Robert R. 
Published: May 2022

AbstractIntricate behaviour of one‐electron potentials from the Euler equation for electron density and corresponding gradient force fields in crystals was studied. Channels of locally enhanced kinetic potential and corresponding saddle Lagrange points were found between chemically bonded atoms. Superposition of electrostaticand kineticpotentials and electron densityallowed partitioning any molecules and crystals into atomic‐ and potential‐based‐basins;‐basins explicitly account for the electron exchange effect, which is missed for‐ones. Phenomena of interatomic charge transfer and related electron exchange were explained in terms of space gaps between zero‐flux surfaces of‐ and‐basins. The gap between‐ and‐basins represents the charge transfer, while the gap between‐ and‐basins is a real‐space manifestation of sharing the transferred electrons caused by the static exchange and kinetic effects as a response against the electron transfer. The regularity describing relative positions of‐,‐, and‐ basin boundaries between interacting atoms was proposed. The position of‐boundary between‐ and‐ones within an electron occupier atom determines the extent of transferred electron sharing. The stronger an H⋅⋅⋅O hydrogen bond is, the deeper hydrogen atom's‐basin penetrates oxygen atom's‐basin, while for covalent bonds a‐boundary closely approaches a‐one indicating almost complete sharing of the transferred electrons. In the case of ionic bonds, the same region corresponds to electron pairing within the‐basin of an electron occupier atom.
Selective [2+1+1] Fragmentation of P4by heteroleptic Metallasilylenes
Authors: Schoening Juliane , Gehlhaar Alexander , Wölper Christoph , Schulz Stephan 
Published: May 2022

AbstractSmall‐molecule activation by low‐valent main‐group element compounds is of general interest. We here report the synthesis and characterization (1H,13C,29Si NMR, IR, sc‐XRD) of heteroleptic metallasilylenes L1(Cl)MSiL2(M=Al1, Ga2, L1=HC[C(Me)NDipp]2, Dipp=2,6‐iPr2C6H3; L2=PhC(NtBu)2). Their electronic nature was analyzed by quantum chemical computations, while their promising potential in small‐molecule activation was demonstrated in reactions with P4, which occurred with unprecedented [2+1+1] fragmentation of the P4tetrahedron and formation of L1(Cl)MPSi(L2)PPSi(L2)PM(Cl)L1(M=Al3, Ga4).
A Rationally Designed Bimetallic Platinum (II)‐Ferrocene Antitumor Agent Induces Non‐Apoptotic Cell Death and Exertsin VivoEfficacy
Authors: Gadre Shubhankar , Manikandan M. , Duari Prakash , Chhatar Sushant , Sharma Astha , Khatri Subhash , Kode Jyoti , Barkume Madan , Kasinathan Nirmal Kumar , Nagare Manasi , Patkar Meena , Ingle Arvind , Kumar Mukesh , Kolthur‐Seetharam Ullas , Patra Malay 
Published: May 2022

AbstractDespite phenomenal clinical success, the efficacy of platinum anticancer drugs is often compromised due to inherent and acquired drug resistant phenotypes in cancers. To circumvent this issue, we designed two heterobimetallic platinum (II)‐ferrocene hybrids that display multi‐pronged anticancer action. In cancer cells, our best compound,2, platinates DNA, produces reactive oxygen species, and has nucleus, mitochondria, and endoplasmic reticulum as potential targets. The multi‐modal mechanism of action of these hybrid agents lead to non‐apoptotic cell death induction which enables circumventing apoptosis resistance and significant improvement in platinum cross resistance profile. Finally, in addition to describing detail mechanistic insights, we also assessed its stability in plasma and demonstrate anticancer efficacy in an in vivo A2780 xenograft model. Strikingly, compared to oxaliplatin, our compound displays better tolerability, safety profile and efficacy in vivo.
Study of Carbamoyl Fluoride: Synthesis, Properties and Applications
Authors: Bonnefoy Clémence , Chefdeville Emmanuel , Tourvieille Christian , Panossian Armen , Hanquet Gilles , Leroux Frédéric , Toulgoat Fabien , Billard Thierry 
Published: May 2022

AbstractCarbamoyl fluoride is a fluorinated group that, to this date, remains underexplored, probably due to the lack of data concerning its properties. In this paper, a study of carbamoyl fluoride is presented. Stability studies, in particular under physiological conditions, and lipophilicity measurement were performed. A new easy, safe, inexpensive, and metal‐free synthesis method is also described. Finally, a potential use in radiochemistry through a 18F/19F isotopic exchange is demonstrated.
Experimental investigation on drying performance of pharmaceutical granules in a pulsation‐assisted fluidized bed dryer
Authors: Li Chen , Blocka Carter , Zhang Lifeng 
Published: May 2022

AbstractFluidized bed drying has been widely employed in pharmaceutical manufacturing processes. Due to the considerable cohesiveness of wet pharmaceutical granules, channelling phenomena pose significant challenges to fluidization and drying. In this work, the drying performance of pharmaceutical granules in a pulsation‐assisted fluidized bed dryer was experimentally investigated. The drying rate and energy efficiency were investigated with representative pharmaceutical powders, including active pharmaceutical ingredients (APIs). It is found that the pulsed airflow is effective in enhancing the drying rate at higher superficial gas velocity. A lower pulsation frequency is more favourable to improve the drying rate. During the constant rate period, energy efficiency is between 60% and 45% for the drying process, while the energy efficiency decreases to 10% during the falling rate period. A pulsed fluidized bed dryer has shown a higher energy efficiency than a conventional one with a constant air flow. Among nine thin‐layer drying models examined in this work, the Midilli and Kucuk model has shown the best agreement between the experimental data and the predicted results.
Improving in vivo Uranyl Removal Efficacy of a Nano‐Metal Organic Framework by Interior Functionalization with 3‐Hydroxy‐2‐pyridinone
Authors: Chen Mengping , Lang Lang , Chen Lei , Wang Xiaomei , Shi Cen , Sun Qiwen , Xu Yigong , Diwu Juan , Wang Shuao 
Published: May 2022

Comprehensive SummaryThe environmental contamination of uranium will occur in scenarios such as nuclear accidents and leakage from nuclear waste storage sites, which eventually leads to the internal uranium exposure of people, causing consequential injuries of renal failure, osteosarcoma, etc. The development of uranyl specific chelating agents that could sequester uranium in vivo is in urgent need and is important for the safe and efficient development of nuclear industry. Metal organic frameworks (MOFs) already serve as efficient uranium depletion materials in solutions of a wide range of pH and ionic strength for nuclear fuel recycling, uranium extraction from seawater, as well as environmental decontamination. Herein, a chromium‐based nano‐metal organic framework (nano‐MOF) functionalized interiorly with 3,2‐HOPO ligands, MIL‐101‐HOPO, is rationally synthesized. In vitro adsorption experiments show that MIL‐101‐HOPO exhibits high adsorption selectivity and fast adsorption kinetics for uranyl. The results of in vivo uranyl decorporation assays reveal that MIL‐101‐HOPO with the decoration of HOPO ligands on the interior wall exhibits significantly increased uranyl removal ratio in kidneys comparing to the pristine nMOFs, and is more effective than the clinically used ZnNa3‐DTPA. All those results corroborate the interior functionalization of MOFs as an efficient strategy to develop promising uranyl decorporation agents.
Assessment of clinical trial protocols for pathology content using the SPIRIT‐Path guidelines highlights areas for improvement
Authors: Robinson Peter , Bacon Chris M , Lim Shujing J , Shaaban Abeer M , Brierley Daniel , Lewis Ian , Harrison David J , Kendall Timothy J , Robinson Max 
Published: May 2022

AbstractThe SPIRIT (Standard Protocol Items: Recommendations for Interventional Trials) 2013 Statement provides evidence‐based recommendations for the minimum content of clinical trial protocols. The Cellular Molecular Pathology Initiative, hosted by the UK National Cancer Research Institute, developed an extension, SPIRIT‐Path, describing how to effectively incorporate pathology support into clinical trial protocols. The current study assessed the inclusion of SPIRIT‐Path items in protocols of active clinical trials. Publicly available clinical trial protocols were identified for assessment against the new guidelines using a single UK hospital as the ‘test site’. One hundred and ninety interventional clinical trials were identified as receiving support from the pathology department. However, only 38 had publicly available full trial protocols (20%) and following application of the inclusion/exclusion criteria, 19 were assessed against the SPIRIT‐Path guidelines. The reviewed clinical trial protocols showed some areas of compliance and highlighted other items that were inadequately described. The latter lacked information about the individuals responsible for the pathology content of the trial protocol, how pathology activities and roles were organised in the trial, where the laboratory work would be carried out, and the accreditation status of the laboratory. Only one trial had information specific to digital pathology, a technology certain to become more prevalent in the future. Adoption of the SPIRIT‐Path checklist will facilitate comprehensive trial protocols that address all the key cellular and molecular pathology aspects of interventional clinical trials. This study highlights once again the lack of public availability of trial protocols. Full trial protocols should be available for scrutiny by the scientific community and the public who participate in the studies, increasing the transparency of clinical trial activity and improving quality.
Tropospheric attenuation prediction for future millimeter wave terrestrial systems: Estimating statistics and extremes
Authors: Liu Jinwen , Matolak David W. , Güvenç Ismail , Mehrpouyan Hani 
Published: May 2022

SummaryTropospheric attenuations can be significant in the millimeter wave (mmWave) frequency bands; hence, accurate prediction modeling of tropospheric attenuation is important for reliable mmWave communication. Several models have been established by the International Telecommunication Union (ITU), yet estimation accuracy is limited due to the large spatial scales used for model input parameters. In this paper, we address this and apply local precipitation data to analyze tropospheric attenuation statistics and compare to results when using ITU regional input rain data. Specifically, tropospheric attenuation is predicted via simulations using the ITU method at 30, 60, and 90 GHz in four distinct geographic locations with different climate types. From our simulations, we gather statistics for annual average rain attenuation, worst month rain attenuation, and rain attenuation per decade. Our results indicate that when using local measured rain data, for 1 km link distance, mean rain event attenuation increases from 0.5 to 2 dB. Local rain data yield larger attenuations at essentially all percentages of time not exceeded (essentially corresponding to all probability values): for example, for 0.1% of time not exceeded, in Columbia, SC, rain attenuation for 30 GHz frequency increases to 9 dB with local rain data, compared to 5 dB with ITU's regional data, corresponding to rain rates of 38.2 and 17.5 mm/h, respectively; at the same probability and location, the 90 GHz attenuation increases by 10 dB, from 10 to 20 dB when local rain data are used. Fog attenuations are also appreciable, reaching 8 dB for the 90 GHz frequency. Moreover, for the example locations, peak rain attenuations have increased at a rate of approximately 2 dB/decade over the past 50 years. Our results indicate that actual tropospheric attenuations may be substantially larger than that predicted by the ITU model when using regional rain rate data.
An SS18::NEDD4 cutaneous spindled and epithelioid sarcoma: An hitherto unclassified cutaneous sarcoma, resembling epithelioid sarcoma with aggressive clinical behavior
Authors: Patton Ashley , Oghumu Steve , Iwenofu O. Hans 
Published: May 2022

AbstractSS18::SSX gene fusions as a result of t(X,18)(p11;q11) have only been described in synovial sarcoma (SS). Recently, an SS18::NEDD4 gene fusion was identified in a single case of primary renal SS exhibiting a hypocellular and myxoid morphology. Herein, we report a case of an unclassified malignant cutaneous spindled and epithelioid neoplasm in a 60‐year‐old female that resembled an epithelioid sarcoma (ES) and harbored a rare SS18::NEDD4 gene fusion. Briefly, the patient presented with a progressively growing cutaneous mass involving the volar aspect of right hand, warranting an amputation. Histologic sections revealed a cutaneous ulcerative neoplasm composed of spindled and epithelioid cells, bearing a certain semblance to ES, with diffuse invasion into the subcutis and skeletal muscle. Coagulation tumor necrosis and mitotic figures were present. By immunohistochemistry, the tumor cells were positive for keratins (AE1/3 and cam5.2), vimentin, CMYC, BCL2, p53, smooth muscle actin (focal), and TLE1 (multifocal) and negative for p40, p63, CK5/6, CK7, CK20, CD56, CD31, CD34, ERG, desmin, SMMS, H‐Caldesmon, myogenin, and S‐100. Expression of INI1 stain was retained. The unusual histomorphology and inconclusive immunophenotypic profile lead to next‐generation sequencing identifying an SS18::NEDD4 gene fusion with genomic coordinates 5′‐SS18 (ex1‐9 NM_005637)‐NEDD4 (ex14‐29 NM_006154). Fluorescence in situ hybridization confirmed SS18 gene rearrangement. Within 2 years, the patient developed widespread metastatic disease. Despite aggressive multimodality treatment, the patient succumbed to disease. In summary, we report a unique case of previously unclassified cytokeratin positive malignant cutaneous spindled and epithelioid sarcoma with aggressive behavior, harboring an SS18::NEDD4 fusion.
Conformations of 4‐tert‐Butyloxy‐, 4‐(Trimethylsilyl)oxy‐ and 4‐(Trimethylstannyl)oxy‐6‐methyl‐2H‐pyran‐2‐ones in the Crystalline State and in Solution
Authors: Baak Marcel , Jaun Bernhard , Belaj Ferdinand , Neier Reinhard 
Published: May 2022

AbstractThe conformational studies in solution and in the solid state of substituted 6‐methyl‐4‐hydroxy‐2‐pyrones indicated that the substituents on the 4‐hydroxy group clearly favored the s‐cis arrangement towards the formal double bond. Steady state kinetic NOE measurements of the tert‐butyl, trimethylsilyl and the trimethylstannyl derivatives showed a marked preference for this conformation in solution. The structures determined by X‐ray diffraction demonstrated the exclusive presence of the same conformation in the solid state. In these three derivatives, the pertinent dihedral angle deviates only slightly from the value for coplanarity with the formal double bond. The predictions of the τ‐bond model are in accordance with the observations. The X‐ray structure of the trimethylstannyl derivative reveals pentacoordinated tin with short contacts to the oxygens at the 2 and 4 position of neighboring molecules. The tin center plays both the role of a protecting group for the 4‐hydroxy moiety and of a Lewis acid towards the 2‐carbonyl oxygen. The X‐ray structure of the stannyl derivative shows unique features which can be compared to the extended transition state of aldol reactions.
Carfilzomib combined with lenalidomide and dexamethasone (KRd) as salvage therapy for multiple myeloma patients: italian, multicenter, retrospective clinical experience with 600 cases outside of controlled clinical trials
Authors: Martino Enrica Antonia , Conticello Concetta , Zamagni Elena , Pavone Vincenzo , Palmieri Salvatore , Musso Maurizio , Tacchetti Paola , Mele Anna , Catalano Lucio , Vigna Ernesto , Bruzzese Antonella , Mendicino Francesco , Botta Cirino , Vincelli Iolanda Donatella , Farina Giuliana , Barone Marialucia , Cangialosi Clotilde , Mancuso Katia , Rizziello Ilaria , Rocchi Serena , Falcone Antonietta Pia , Mele Giuseppe , Reddiconto Giovanni , Garibaldi Bruno , Iaccino Enrico , Tripepi Giovanni , Gamberi Barbara , Di Raimondo Francesco , Musto Pellegrino , Neri Antonino , Cavo Michele , Morabito Fortunato , Gentile Massimo 
Published: May 2022

AbstractIn combination with lenalidomide and dexamethasone (KRd), Carfilzomib has been approved for the treatment of relapsed and refractory multiple myeloma (RRMM) on ASPIRE trial. Efficacy and safety of the triplet are still the object of investigation by many groups to confirm ASPIRE results in the setting of RRMM treated in real‐life who don't meet trial restrictive inclusion criteria. Therefore, we report a retrospective multicenter analysis of 600 RRMM patients treated with KRd between December 2015 and December 2018. The median age was 64 years (range 33–85), and the median number of previous therapies was two (range 1–11). After a median of 11 KRd cycles, the overall response rate was 79.9%. The median progression‐free survival (PFS) was 22 months, and the 2‐year probability of PFS was 47.6%. Creatinine clearance<30 ml/min, >1 line of previous therapy, and high‐risk FISH were all associated with a poor prognosis in multivariate analysis. The median overall survival (OS) was 34.8 months; the 2‐year probability of OS was 63.5%. At multivariate analysis, creatinine clearance<30 ml/min, >1 line of previous therapy, and high‐risk FISH were significantly associated with poor prognosis. After a median follow‐up of 16 months (range 1–50), 259 withdrew from therapy. The main discontinuation reason was progressive disease (81.8%). Seventy‐four patients (12.3%) discontinued therapy for toxicity. The most frequent side effects were hematological (anemia 49.3%, neutropenia 42.7%, thrombocytopenia 42.5%) and cardiovascular (hypertension 14.5%, heart failure 2.5%, arrhythmias 3.6%). Our study confirms the safety and efficacy of KRd in the real‐life setting of RRMM patients and encourages its use in clinical practice.