gebhart/patrepeval huggingface dataset:
Synthetic Studies on b-Lactam Antibiotics III. Synthesis of New Bicyclic b-Lactam Ring System, 12-Oxo-4,8-Dithia-1-azabicyclo[8.2.0]dodec-2-enes (1979)

N-(a-Ethoxycarbonyl-B,O-diethoxyethyl)-3-phenyl-4styryl-2-azetldinone (2) was converted to 2-ethoxycarbonyl-12oxo-ll-phenyl-4,8-dithia-l-azabicycloI8.2.Oldodec-2-ene Ill) by the following reactions, namely ozonolysis, reduction, tosylation, thioacetalisation and halogenation.Similarly, 2-ethoxycarbonyl-12-oxo-4,8-dithia-l-azabicyc1o18.2.0ldodec-2-ene 112) was synthesised from N-(a-ethoxycarbonyl-B,B-dlethoxyethyl)-4-styryl-3- thiophenoxy-2-azetidinone (3).The novel blcyclic 8-lactams, clavulanic acid,' thienamycinr2 MM 4 5 5 0 , ~ MM 1 3 9 0 2 ~ and MM 1 7 8 8 0 , ~ KC 6 9 6 -~~2 -~, ' and ~s -5 ~~ have recently been isolated from Streptomyces species.They have characteristic antibiotic activities.In a search for chemotherapeutically useful agents, novel fused blcycl~c 6-lactams, incorporating the 1carbadethiacephem?1-oxadethiapenam?, and ~enemlo ring systems have been synthesised.We here wish to report the facile synthesis of a new bicyclic 8-lactam system in the form of 2-ethoxycarbonyl-12-oxo-4,8-dithia-l-azabiyclo[8.2.Oldodec-2-nen I11 and 12).Condensation of the imine (1) ,I1 prepared from cinnamaldehyde and ethyl a-amino-B, 0-diethoxypropionate, with phenylacetic acid in the presence of diethyl phosphorochloridate 12'13 gave a diastereoisomeric mixture of the 2-azetidinones (2).On recrystallisatlon from ethanol the two compounds were obtained as pure isomers in 21.9 % and 21.3 % yields.Since the hydrogen at C -position of both compounds were 3 seen to have a small coupling constant (J = 2 Hz) in their nmr spectra, the stereo-
Friction stir welding of multilayered steel (2012)

This study investigates the mechanical properties and microstructure of friction stir butt welded high strength/ductility multilayered steel consisting of 15 alternating layers of SUS 301 austenitic stainless steel (eight layers) and SUS 420J2 martensitic stainless steel (seven layers) with a total thickness of 1·2 mm. With optimised welding parameters, defect free welds with an ultimate tensile strength (UTS) of 1240 MPa and a fracture elongation of 13% were accomplished. This corresponds to a joint efficiency of 90%. In this case, fracture occurred in the heat affected zone as a result of a very pronounced hardness drop in the martensitic layers resulting from the formation of a large amount of grain boundary precipitates, which were formed at temperatures ∼750°C slightly below A c1 . By applying post-weld heat treatment, the hardness drop in the martensitic layers was removed and the tensile properties were enhanced to UTS of 1310 MPa (95% joint efficiency) and a fracture elongation of 22%.
Current State of Platelet-Rich Plasma and Cell-Based Therapies for the Treatment of Osteoarthritis and Tendon and Ligament Injuries (2022)

Advances in novel orthobiologics, therapeutic targets, and customized orthobiologic therapy will undoubtedly continue to burgeon, with some early promising results from studies targeting fibrosis and senescence.
The Relationship between Serum miRNAs and Early Mortality in Multiple Myeloma Patients Treated with Bortezomib-Based Regimens (2023)

Multiple myeloma (MM) is a hematological malignancy characterized by the clonal proliferation of plasma cells in the bone marrow (BM) microenvironment. Despite the progress made in treatment, some MM patients still die within the first year of diagnosis. Numerous studies investigating microRNA (miRNA) expression patterns suggest they may be good prognostic markers. The primary aim of this study was to analyze the expression of selected miRNAs in the serum of MM patients who were later treated with bortezomib-based regimens, and to determine their potential to predict early mortality. The study was conducted in 70 prospectively recruited patients with newly diagnosed MM admitted to the Department of Hematology of the Copernicus Memorial Hospital, Lodz (Poland) between 2017 and 2021. Among them, 17 patients experienced death within 12 months of diagnosis. The expression of 31 selected miRNAs was determined using a miRCURY LNA miRNA Custom PCR Panel. The obtained clinical data included patient characteristics on diagnosis, treatment regimen, response to treatment, and follow-up. Differential expression analysis found two miRNAs to be significantly downregulated in the early mortality group: hsa-miR-328-3p (fold change-FC: 0.72, <i>p</i> = 0.0342) and hsa-miR-409-3p (FC: 0.49, <i>p</i> = 0.0357). Univariate and multivariate logistic regression analyses were performed to assess the early mortality rate. The final model consisted of hsa-miR-409-3p, hsa-miR-328-3p, age, and R-ISS 3. It yielded an area under the curve (AUC) of 0.863 (95%CI: 0.761-0.965) with 88.2% sensitivity and 77.5% specificity. Further external validation of our model is needed to confirm its clinical value.
Homocysteine Inhibits Inactivation of Factor Va by Activated Protein C (2001)

We report the effect of homocysteine on the inactivation of factor Va by activated protein C (APC) using clotting assays, immunoblotting, and radiolabeling experiments. Homocysteine, cysteine, or homocysteine thiolactone have no effect on factor V activation by alpha-thrombin. Factor Va derived from homocysteine-treated factor V was inactivated by APC at a reduced rate. The inactivation impairment increased with increasing homocysteine concentration (pseudo first order rate k = 1.2, 0.9, 0.7, 0.4 min(-1) at 0, 0.03, 0.1, 1 mm homocysteine, respectively). Neither cysteine nor homocysteine thiolactone treatment of factor V affected APC inactivation of derived factor Va. Western blot analyses of APC inactivation of homocysteine-modified factor Va are consistent with the results of clotting assays. Factor Va, derived from factor V treated with 1 mm beta-mercaptoethanol was inactivated more rapidly than the untreated protein sample. Factor V incubated with [(35)S]homocysteine (10-450 micrometer) incorporated label within 5 min, which was found only in those fragments that contained free sulfhydryl groups: the light chain (Cys-1960, Cys-2113), the B region (Cys-1085), and the 26/28-kDa (residues 507-709) APC cleavage products of the heavy chain (Cys-539, Cys-585). Treatment with beta-mercaptoethanol removed all radiolabel. Plasma of patients assessed to be hyperhomocysteinemic showed APC resistance in a clot-based assay. Our results indicate that homocysteine rapidly incorporates into factor V and that the prothrombotic tendency in hyperhomocysteinemia may be related to impaired inactivation of factor Va by APC due to homocysteinylation of the cofactor by modification of free cysteine(s).
NMR Strategy for Unraveling Structures of Bioactive Sponge-Derived Oxy-polyhalogenated Diphenyl Ethers (2009)

The overexpression of the Mcl-1 protein in cancerous cells results in the sequestering of Bak, a key component in the regulation of normal cell apoptosis. Our investigation of the ability of marine-derived small-molecule natural products to inhibit this protein-protein interaction led to the isolation of several bioactive oxy-polyhalogenated diphenyl ethers. A semipure extract, previously obtained from Dysidea (Lamellodysidea) herbacea and preserved in our repository, along with an untouched Dysidea granulosa marine sponge afforded 13 distinct oxy-polyhalogenated diphenyl ethers. Among these isolates were four new compounds, 5, 6, 10, and 12. The structure elucidation of these molecules was complicated by the plethora of structural variants that exist in the literature. During dereplication, we established a systematic method for analyzing this class of compounds. The strategy is governed by trends in the (1)H and (13)C NMR shifts of the aromatic rings, and the success of the strategy was checked by X-ray crystal structure analysis.
Multiple structural color hydrogel array integrated with microfluidic chip for biochemical sensor (2017)

This paper describes multiple structural color hydrogel array integrated with a two-layered microfluidic chip. The microfluidic chip can sense multiple physical/chemical targets (ex. concentration of chemicals and temperature) at the same time simply by eye-visible color changes of the arrayed stimuli-responsive structural color hydrogels in the top chambers. Sample solution was introduced in the bottom channel and react to the arrayed hydrogel via sandwiched porous membrane. We evaluated our device by measuring ethanol/water concentration and temperature, and confirmed the visible color changes of our sensor without any external equipment. We believe that our sensing device could be applied to a biochemical sensor or microanalytical chip for environmental monitoring sensor and wearable healthcare devices.
Excited State Distortion in Photochromic Ruthenium Sulfoxide Complexes (2010)

A series of photochromic ruthenium sulfoxide complexes of the form [Ru(bpy)(2)(OSOR)](+), where bpy is 2,2'-bipyridine and OSOR is 2-(benzylsulfinyl)benzoate (OSOBn), 2-(napthalen-2-yl-methylsulfinyl)-benzoate (OSONap), or 2-(pentafluorophenylmethanesulfinyl)benzoate (OSOBnF(5)), have been synthesized and characterized. In aggregate, the data are consistent with phototriggered isomerization of the sulfoxide from S-bonded to O-bonded. The S-bonded complexes feature (3)MLCT absorption maxima at 388 nm (R = BnF(5)), 396 nm (R = Bn), and 400 nm (R = Nap). Upon charge transfer excitation the S-bonded peak diminishes concomitant with new peaks growing in at approximately 350 and approximately 495 nm. Spectroscopic and electrochemical data suggest that the electronic character of the substituent on the sulfur affects the properties of the S-bonded complexes, but not the O-bonded complexes. The isomerization is reversible in methanol solutions and, in the absence of light, thermally reverts to the S-bonded isomer with biexponential kinetics. The quantum yields of isomerization (Phi(s-->o)) were found to be 0.32, 0.22, and 0.16 for the R = BnF(5), Bn, and Nap complexes, respectively. Kinetic analyses of femtosecond transient absorption data were consistent with a nonadiabatic mechanism in which isomerization occurs from a thermally relaxed (3)MLCT state of S-bonded (or eta(2)-sulfoxide) character directly to the singlet O-bonded ground state. The time constants of isomerization (tau(s-->o)) were found to be 84, 291, and 427 ps for the R = BnF(5), Bn, and Nap complexes, respectively. Analysis of room temperature absorption and 77 K emission spectra reveal significant distortion between the S-bonded ground state ((1)GS(S)) and singlet metal-to-ligand charge transfer state ((1)MLCT(S)) and thermally relaxed (3)MLCT, respectively. The distortion is primarily attributed to low frequency metal-ligand and S horizontal lineO vibrational modes, which are intrinsically involved in the isomerization pathway.
Fully Scalable Porous Metal Electrospray Propulsion (2012)

Abstract : The objective of this research is advance the field of electric propulsion by producing and testing the first generation of fully scalable 2-D high-density electrospray emitter arrays microfabricated on porous metal substrates working in the purely ionic regime. Uniform porous 2D nickel arrays were fabricated with a pitch of 450 microns. These arrays were tested in the laboratory and display high IV characteristics. Ion fragmentation was identified as a source of inefficiencies, although moderate due to hot neutrals in the beam. MD simulations were carried out to describe the ion emission mechanisms. Device packaging was investigated using MEMS techniques.
[Insulin secretion and intestinal motility]. (1975)

In dogs after feeding increased plasma insulin concentration is positively related in converting the "fasted" pattern of electrical activity into the "fed" pattern. In sheep, the release of insulin induced by a perfusion of volatile fatty acids is accompanied by similar changes in the pattern of electrical activity. The results indicate that insulin release induced by nutrients plays a major role in the control of intestinal motility in both species.
Tutorial (2015)

This full day tutorial on synchronization and security in Named Data Networking (NDN) will share important architectural concepts we are exploring in these areas, the software we have built to perform these tasks, and remaining open issues. In particular, it will emphasize how the existing open source toolset provides a platform for exploring the open research questions.
The Enterion Capsule (2002)

Advances in combinatorial chemistry, proteomics, and genomics have led to the potential for an unprecedented number of new molecular entities (NMEs) to enter full-scale development. Although the emphasis remains focused on developing oral products, few drug candidates have ideal biopharmaceutical properties for oral administration (Table 1) [1]. Pharmaceutical companies have therefore recognized the need to identify those compounds with problematic biopharmaceutical properties long before the ﬁrst formal, prototype formulations are administered to humans [2]. As a consequence, drug discovery groups now routinely screen potential clinical candidates for poor aqueous solubility and permeability.
Saturated Fat and Cardiometabolic Risk Factors, Coronary Heart Disease, Stroke, and Diabetes: a Fresh Look at the Evidence (2010)

Dietary and policy recommendations frequently focus on reducing saturated fatty acid consumption for improving cardiometabolic health, based largely on ecologic and animal studies. Recent advances in nutritional science now allow assessment of critical questions about health effects of saturated fatty acids (SFA). We reviewed the evidence from randomized controlled trials (RCTs) of lipid and non-lipid risk factors, prospective cohort studies of disease endpoints, and RCTs of disease endpoints for cardiometabolic effects of SFA consumption in humans, including whether effects vary depending on specific SFA chain-length; on the replacement nutrient; or on disease outcomes evaluated. Compared with carbohydrate, the TC:HDL-C ratio is nonsignificantly affected by consumption of myristic or palmitic acid, is nonsignificantly decreased by stearic acid, and is significantly decreased by lauric acid. However, insufficient evidence exists for different chain-length-specific effects on other risk pathways or, more importantly, disease endpoints. Based on consistent evidence from human studies, replacing SFA with polyunsaturated fat modestly lowers coronary heart disease risk, with ~10% risk reduction for a 5% energy substitution; whereas replacing SFA with carbohydrate has no benefit and replacing SFA with monounsaturated fat has uncertain effects. Evidence for the effects of SFA consumption on vascular function, insulin resistance, diabetes, and stroke is mixed, with many studies showing no clear effects, highlighting a need for further investigation of these endpoints. Public health emphasis on reducing SFA consumption without considering the replacement nutrient or, more importantly, the many other food-based risk factors for cardiometabolic disease is unlikely to produce substantial intended benefits.
Monoclonal and polyclonal humoral immune response to EC HER‐2/<i><scp>NEU</scp></i>peptides with low similarity to the host's proteome (2002)

We are studying peptide immunogenicity as a function of the similarity level to the host's proteome. By using as a model the breast/prostate cancer-associated HER-2/neu antigen, we analyzed the monoclonal and polyclonal humoral immune responses against HER-2/neu peptide motifs not shared with the host proteome. We show here that (i) a mouse monoclonal antibody (MAb) raised against the extracellular domain (EC) of human HER-2/neu oncoprotein recognized a linear peptide motif endowed with low similarity level to the mouse proteome; (ii) likewise, human sera from breast/prostate cancer patients preferentially recognized peptide fragments from the EC of the HER-2/neu oncoprotein having sequences that are not present in the human proteome. Together with previous results obtained in other disease models (cervical cancer-associated HPV16 E7 oncoprotein and Pemphigus vulgaris auto-antigen desmoglein-3), the present data suggest that a low level of sequence similarity to the host's proteome might be an important factor in shaping the pool of B cell epitopes.
Structural evolution of the ancient enzyme, dissimilatory sulfite reductase (2022)

Dissimilatory sulfite reductase is an ancient enzyme that has linked the global sulfur and carbon biogeochemical cycles since at least 3.47 Gya. While much has been learned about the phylogenetic distribution and diversity of DsrAB across environmental gradients, far less is known about the structural changes that occurred to maintain DsrAB function as the enzyme accompanied diversification of sulfate/sulfite reducing organisms (SRO) into new environments. Analyses of available crystal structures of DsrAB from Archaeoglobus fulgidus and Desulfovibrio vulgaris, representing early and late evolving lineages, respectively, show that certain features of DsrAB are structurally conserved, including active siro-heme binding motifs. Whether such structural features are conserved among DsrAB recovered from varied environments, including hot spring environments that host representatives of the earliest evolving SRO lineage (e.g., MV2-Eury), is not known. To begin to overcome these gaps in our understanding of the evolution of DsrAB, structural models from MV2.Eury were generated and evolutionary sequence co-variance analyses were conducted on a curated DsrAB database. Phylogenetically diverse DsrAB harbor many conserved functional residues including those that ligate active siro-heme(s). However, evolutionary co-variance analysis of monomeric DsrAB subunits revealed several False Positive Evolutionary Couplings (FPEC) that correspond to residues that have co-evolved despite being too spatially distant in the monomeric structure to allow for direct contact. One set of FPECs corresponds to residues that form a structural path between the two active siro-heme moieties across the interface between heterodimers, suggesting the potential for allostery or electron transfer within the enzyme complex. Other FPECs correspond to structural loops and gaps that may have been selected to stabilize enzyme function in different environments. These structural bioinformatics results suggest that DsrAB has maintained allosteric communication pathways between subunits as SRO diversified into new environments. The observations outlined here provide a framework for future biochemical and structural analyses of DsrAB to examine potential allosteric control of this enzyme.
Preoperative nutrition assessment in liver transplantation. (1993)

Nutrition assessment and therapy in end-stage liver disease has become increasingly important with the advent of orthotopic liver transplantation. Reduced lean body mass, increased risk of sepsis, and altered metabolism of carbohydrates, protein, and fat are characteristic of patients with liver dysfunction. This study assesses the prevalence of protein-calorie malnutrition and the relative utility of various parameters used to define protein-calorie malnutrition in 104 patients before liver transplantation. Five subgroups were identified for analysis: primary biliary cirrhosis (PBC, n = 21), sclerosing cholangitis (SC, n = 12), chronic active hepatitis (CAH,n = 34), acute hepatitis (AH,n = 11), and other liver diseases (OD,n = 26). Clinical characteristics, anthropometric measurements, secretory protein levels, 24-h urinary creatinine and urea nitrogen, and immunological studies were assessed. Significant differences between groups were noted in age, height, weight, and percentage ideal body weight (IBW), but no differences were noted with respect to triceps skin fold (TSF) and arm muscle circumference (AMC), where uniform depletion of fat and protein stores was found. Overall percentage IBW was significantly elevated (112 +/- 20, mean +/- SD, p < 0.001), whereas TSF and AMC percentage standards were 71 +/- 33 and 89 +/- 11% (respective p < 0.001). With the < 5th percentile of TSF and AMC as markers of malnutrition, 33 and 43% of patients were malnourished, respectively. Hepatic synthetic function was impaired in all groups, with overall albumin 25 +/- 0.6 g/L, transferrin 1.60 +/- 0.66 g/L, and prothrombin 16.8 +/- 6.2 s.(ABSTRACT TRUNCATED AT 250 WORDS)
J-aggregation of a squaraine dye and its application in organic photovoltaic cells (2013)

In this paper, we investigated the aggregation behavior of a squaraine dye in solid films, as well as the effects on its optical and electrical properties. We observed a strong intermolecular interaction in thin films, which can be controlled via processing solvents. Two typical aggregation behaviors, i.e. H- and J- aggregation, can be selectively formed via the proper selection of solvents, resulting in a significant difference in material properties and the resultant photovoltaic performance. In addition to the monomer absorption between 600 nm and 700 nm, the H-aggregation mainly absorbs green light around 500–600 nm, while the J-aggregation shows a strong absorption in the near infrared range up to 850 nm. Therefore in squaraine/fullerene bi-layer hetero-junction photovoltaic cells, we demonstrated a significant contribution of J-aggregation to the photocurrent. Furthermore the J-aggregation films have a deeper ionization potential, most likely due to the intermolecular charge-transfer interaction, and thus gave rise to a larger open circuit voltage than those of the H-aggregation based devices. The J-aggregation formation shall be considered as an effective approach to tune the optical/electrical properties in organic optoelectronic devices.
Size dependence of electrostatic lens effect in vertical MOSFETs (2014)

The size dependence of the electrostatic lens effect in the channel of a nanoscale vertical pillar-type metal–oxide–semiconductor field-effect transistor (V-MOSFET) is studied by quantum dynamics simulation. Our findings indicate that the applicable diameter of the pillar for the efficient current-path control by the electrostatic lens effect on the V-MOSFET is in the range of about 10–30 nm. In the large-diameter pillar (30 nm diameter), the lens effect at the interfaces between the source and the body, and between the body and the source works well owing to the ballistic transport of electrons. On the other hand, in a slim pillar (10 nm diameter or less), the lens effect does not work well, because it is difficult to handle the electron dynamics by the analogy of classical geometrical optics, even though the electrons show ballistic transport. Our results indicate that the proposed technique is applicable for many nanoscale pillar-type devices.
Heterophase Polymerization as Synthetic Tool in Polymer Chemistry for Making Nanocomposites (2009)

Abstract Summary: The paper considers various possibilities to produce inorganic – polymeric nanocomposites via aqueous heterophase polymerization. Special emphasis is placed on strategies to synthesize nanocomposite particles via joint nucleation or joint polymerization. The former strategy is used to make composite particles with CaCO 3 as inorganic component. The strategy of joint polymerization takes advantage from the condition that aqueous heterophase polymerization is a convenient possibility to synthesize amphiphilic block copolymers. This method relies on the fact that polymeric radicals can survive in isolated latex particles that are stabilized by hydrophilic blocks. This strategy can be successfully applied to produce silica‐containing block copolymer particles in a one‐step procedure.