aTCT

Atmospheric formic acid is severely underpredicted by models. A recent study proposed that this discrepancy can be resolved by abundant formic acid production from the reaction (1) between hydroxyl radical and methanediol derived from in-cloud formaldehyde processing and provided a chamber-experiment-derived rate constant, k 1 = 7.5 × 10-12 cm3 s-1 . High-level accuracy coupled cluster calculations in combination with E,J -resolved two-dimensional master equation analyses yield k 1 = (2.4 ± 0.5) × 10-12 cm3 s-1 for relevant atmospheric conditions ( T = 260-310 K and P = 0-1 atm)...

The cobia Rachycentron canadum, mainly distributed in the warm waters of tropical and subtropical regions around the world, remains a fish of considerable economic importance. Detailed diversity and the number of microsatellite sequences in the cobia genome are still unintelligible. The primary objective of this work is to identify and quantify the miscellaneous SSR sequences in the cobia genome. More than 280,000 sequences were sequenced and screened by Next-generation sequencing technology and microsatellite identification...

Adoptive T-cell therapies (ATCTs) are increasingly important for the treatment of cancer, where patient immune cells are engineered to target and eradicate diseased cells. The biomanufacturing of ATCTs involves a series of time-intensive, lab-scale steps, including isolation, activation, genetic modification, and expansion of a patient's T-cells prior to achieving a final product. Innovative modular technologies are needed to produce cell therapies at improved scale and enhanced efficacy. In this work, well-defined, bioinspired soft materials were integrated within flow-based membrane devices for improving the activation and transduction of T cells...

Auditory-based targeted cognitive training (ATCT) programs are emerging pro-cognitive therapeutic interventions which aim to improve auditory processing to attenuate cognitive impairment in a "bottom up" manner. Biomarkers of early auditory information processing (EAIP) like mismatch negativity (MMN) and P3a have been used successfully to predict gains from a full 40 h course of ATCT in schizophrenia (SZ). Here we investigated the ability of EAIP biomarkers to predict ATCT performance in a group of subjects (n = 26) across SZ, MDD, PTSD and GAD diagnoses...

BACKGROUND: Adoptive T cell therapy (ATCT) has been successful in treating hematological malignancies and is currently under investigation for solid-tumor therapy. In contrast to existing chimeric antigen receptor (CAR) T cell and/or antigen-specific T cell approaches, which require known targets, and responsive to the need for targeting a broad repertoire of antigens in solid tumors, we describe the first use of immunostimulatory photothermal nanoparticles to generate tumor-specific T cells...

The thermochemistry of halocarbon species containing iodine and bromine is examined through an extensive interplay between new Feller-Peterson-Dixon (FPD) style composite methods and a detailed analysis of all available experimental and theoretical determinations using the thermochemical network that underlies the Active Thermochemical Tables (ATcT). From the computational viewpoint, a slower convergence of the components of composite thermochemistry methods is observed relative to species that solely contain first row elements, leading to a higher computational expense for achieving comparable levels of accuracy...

The ˙OH-initiated oxidation of methyl hydroperoxide, which plays an important role in the atmospheric chemistry of methane, was theoretically characterized using high-accuracy composite amHEAT-345(Q) coupled-cluster calculations followed by a two-dimensional E , J resolved master equation analysis. The reaction is found to proceed through two distinct hydrogen-bonded pre-reactive complexes leading to two product channels, in accord with the experimental observations: (i) ˙OH + CH3 OOH → CH3 OO˙ + H2 O with a yield of 0...

Primary hemophagocytic lymphohistiocytosis (HLH) is a hyperinflammatory syndrome caused by impaired lymphocyte cytotoxicity. First-line therapeutic regimens directed against activated immune cells or secreted cytokines show limited efficacy since they do not target the underlying immunological problem: defective lymphocyte cytotoxicity causing prolonged immune stimulation. A potential rescue strategy would be the adoptive transfer of ex vivo gene-corrected autologous T cells. However, transfusion of cytotoxicity-competent T cells under conditions of hyperinflammation may cause more harm than benefit...

The bond dissociation energy of methylidyne, D 0 (CH), is studied using an improved version of the High-Accuracy Extrapolated ab initio Thermochemistry (HEAT) approach as well as the Feller-Peterson-Dixon (FPD) model chemistry. These calculations, which include basis sets up to nonuple (aug-cc-pCV9Z) quality, are expected to be capable of providing results substantially more accurate than the ca. 1 kJ mol-1 level that is characteristic of standard high-accuracy protocols for computational thermochemistry. The calculated 0 K CH bond energy (27 954 ± 15 cm-1 for HEAT and 27 956 ± 15 cm-1 for FPD), along with equivalent treatments of the CH ionization energy and the CH+ dissociation energy (85 829 ± 15 cm-1 and 32 946 ± 15 cm-1 , respectively), were compared to the existing benchmarks from Active Thermochemical Tables (ATcT), uncovering an unexpected difference for D 0 (CH)...

High-level coupled cluster theory, in conjunction with Active Thermochemical Tables (ATcT) and E , J -resolved master equation calculations, was used in a study of the title reactions, which play an important role in the combustion of hydrocarbons. In the set of radical/radical reactions leading to soot formation in flames, the addition of H-atoms to alkenes is likely a common reaction, triggering the isomerization of complex hydrocarbons to aromatics. The heats of formation of C2 H3 , C2 H4 , and C2 H5 are established to be 301...

With the increasing demand for electronic products, the electronic package gradually developed toward miniaturization and high density. The most significant advantage of the Wafer-Level Package (WLP) is that it can effectively reduce the volume and footprint area of the package. An important issue in the design of WLP is how to quickly and accurately predict the reliability life under the accelerated thermal cycling test (ATCT). If the simulation approach is not adopted, it usually takes several ACTCs to design a WLP, and each ACTC will take several months to get the reliability life results, which increases development time considerably...

ATOMIC is a midlevel thermochemistry protocol that uses Pople's concept of bond separation reactions (BSRs) as a theoretical framework to reduce computational demands in the evaluation of atomization energies and enthalpies of formation. Various composite models are available that approximate bond separation energies at the complete-basis-set limit of all-electron CCSD(T), each balancing computational cost with achievable accuracy. Evaluated energies are then combined with very high-level, precomputed atomization energies of all auxiliary molecules appearing in the BSR to obtain the atomization energy of the molecule under study...

Several design parameters affect the reliability of wafer-level type advanced packaging, such as upper and lower pad sizes, solder volume, buffer layer thickness, and chip thickness, etc. Conventionally, the accelerated thermal cycling test (ATCT) is used to evaluate the reliability life of electronic packaging; however, optimizing the design parameters through ATCT is time-consuming and expensive, reducing the number of experiments becomes a critical issue. In recent years, many researchers have adopted the finite-element-based design-on-simulation (DoS) technology for the reliability assessment of electronic packaging...

Coincidence ion pair production (cipp) spectra of F2 were recorded on the DELICIOUS III coincidence spectrometer in the one-photon excitation region of 125 975-126 210 cm-1 . The F+ + F- signal shows a rotational band head structure, corresponding to F2 Rydberg states crossing over to the ion pair production surface. Spectral simulation and quantum defect analysis allowed the characterization of five new molecular Rydberg states (F2 **): one Π and four Σ states. The lowest-energy Rydberg state spectrum observed (T0 = 125 999 cm-1 ) lacked some of the predicted rotational structure, which allowed an accurate determination of the ion pair production threshold of 15...

ETHNOPHARMACOLOGICAL RELEVANCE: Pastoralists in Nigeria mix barks of Anogeissus leiocarpus (AL) Khaya senegalensis (KS) and potash (Pt) to treat animal African trypanosomosis. AIM: To evaluate antitrypanosomal potential of A. leiocarpus, K. senegalensis and potash for insights into the traditional claim of antitrypanosomal combination therapy (ATCT). MATERIALS AND METHODS: Fifty microliter each of six different concentrations of AL, KS, Pt, AL + KS, AL + KS + Pt and diminazene aceturate (DA, positive control) was incubated with 50 μL of parasite-laden blood containing 108 Trypanosoma congolense cells in a 96-well microtitre plate...

Immune checkpoint blockade therapies (ICBs) are a prominent breakthrough in cancer immunotherapy in recent years (named the 2013 "Breakthrough of the Year" by the Science magazine). Thus far, FDA-approved ICBs primarily target immune checkpoints CTLA-4, PD-1, and PD-L1. Notwithstanding their impressive long-term therapeutic benefits, their efficacy is limited to a small subset of cancer patients. In addition, ICBs induce inadvertent immune-related adverse events (irAEs) and can be costly for long-term use. To overcome these limitations, two strategies are actively being pursued: identification of predictive biomarkers for clinical response to ICBs and multi-pronged combination therapies...

The interleukin 6 receptor (IL6R) gene has been shown to locate in the chromosome 1q21 associated with metabolic syndrome (MetS), a condition related to the augmented risk of ischaemic stroke (IS), cardiovascular diseases and all-cause mortality. The aim of this study was to assess the relationship between IL6R gene polymorphisms and IS in patients with MetS in the Chinese Han population. We designed a case-control study enrolling 447 patients with MetS plus IS and 438 patients with MetS alone. Tag single nucleotide polymorphisms (SNPs) of the IL6R gene were determined by a fine-mapping strategy and genotyped using SNPscan technology...

BACKGROUND: Despite chemo-induction therapy and autologous stem cell transplantation (ASCT), the vast majority of patients with Multiple Myeloma (MM) relapse within 7 years and the disease remains incurable. Adoptive Allogeneic T-cell therapy (ATCT) might be curative for MM, however current ATCT protocols often lead to graft versus host disease (GvHD). Transplanting only tumor reactive donor T cells that mediate a graft-versus-myeloma (GvM) but not GvHD may overcome this problem. METHODS: We used an MHC-matched/miHA-disparate B10...

ATOMIC is a thermochemistry protocol geared toward larger molecules with first-row atoms. It implements Pople's concept of bond separation reactions in an ab initio fashion and so enhances the accuracy of mid-level composite models for atomization energies. Recently we have introduced ATOMIC(hc), a model for applications to hydrocarbons, that estimates bias and uncertainty for each of the components contributing to the ATOMIC bottom-of-the-well atomization energy (Bakowies D., J. Chem. Theory Comput. 2019, 15, 5230-5251)...

The Active Thermochemical Tables (ATcT) yield 8.477 ± 0.007 eV as the ionization energy of the vinyl radical, which agrees with wave function theory results. The photoionization spectrum yielded 8.59 ± 0.03 eV, while the photoelectron spectrum yielded 8.25 ± 0.05 eV for the adiabatic ionization energy. In order to reconcile these contradictory measurements, we produced the vinyl radical by flash pyrolysis of divinyl sulfone, and recorded its photoionization (PI) and threshold photoelectron (TPE) spectrum in the 8...