Chemistry

Recognition of Antigen-Specific B-Cell Receptors from Chronic Lymphocytic Leukemia Patients by Synthetic Antigen Surrogates
Sarkar et al. developed a screening protocol to identify nonpeptidic ligands for antigen-specific B cell receptors (BCR). Dextran-ligand conjugates bind selectively to cells displaying the target BCR. These molecules may be useful for selective drug delivery to pathogenic B cells, such as those in CLL patients.


The Polyketide Synthase Pks13 Catalyzes a Novel Mechanism of Lipid Transfer in Mycobacteria
The mycolate-containing compounds constitute major pathogenicity factors of Mycobacterium tuberculosis. Gavalda et al. show that the thioesterase-like domain of the Pks13 polyketide synthase has an unusual acyltransferase function and directly transfers Pks13’s products onto trehalose, ultimately leading to the formation of trehalose monomycolate, a common precursor of the mycolate-containin...
Gold nanoparticle based colorimetric probe for dopamine detection based on the interaction between dopamine and melamine
We report on a probe for the colorimetric and bare-eye detection of dopamine (DA). The optical effect is based on the finding that DA inhibits the melamine-induced aggregation of red gold nanoparticles (AuNPs) to form blue AuNP clusters. We presume that the aggregation induced by melamine is due to its strong hydrogen-bonding interactions with DA. The color changes can be monitored by spectroph...


Millimeter- and submillimeter-wave spectroscopy of disulfur dioxide, OSSO
The millimeter-wave spectrum of the cis conformer of disulfur dioxide, cis-OSSO, has been recorded in this study in the ranges 70–120 GHz and 340–500 GHz. Transitions of its second most abundant isotopologue, OS34SO, have also been observed. The species was produced in a radio frequency discharge through flowing SO2. An improved set of molecular parameters has been derived from the newly re...
Comparative milk and serum cholesterol content in dairy cow and camel
In order to compare cholesterol contents in cow and camel milk in similar farming conditions, milk and blood of seven cows and seven camels maintained at normal diet at the middle of lactation were sampled at morning and evening, then after two weeks of keeping them at low protein diet. The cholesterol content in camel milk (5.64 ± 3.18 mg/100g, SD) was not significantly lower than in cow milk...


Short Protecting Group-free Syntheses of Camptothecin and 10-Hydroxycamptothecin Using Cascade Methodologies
A convergent protecting group-free total synthesis route of camptothecin and 10-hydroxycamptothecin has been developed in this work. Cascade oxidation of 3-(hydroxymethyl)furan-2(5 H)-one and in situ intermolecular oxa Diels–Alder reaction with vinyl ether was developed and applied to construct the E-ring, and TMSCl-promoted cascade closure of the D-ring delivered the whole skeleton of the ...
Access to Novel Graphene-Like Sheet of Hydroboron: First-Principles Investigation
We designed a cyclic borane (B6H12) molecule with a benzene-like structure, in which the six B atoms are located in the same plane. Three methods of B3LYP, MP2, and CCSD with the 6-311++G*basis were used to investigate its structure, electronic property, and stability. Next, we calculated the stability and electronic property of three hydroboron derivatives with fused rings of B10H18, B14H24, a...

The theoretical study of effect of temperature on the physicochemical parameters for binary mixtures of vinyl acetate and benzyl acetate, +o-xylene, +m-xylene and +p-xylene
In this work we used the Flory theory of liquid mixtures for determining the thermal parameters such as excess thermal expansion coefficients αE , and isothermal coefficient of pressure excess molar enthalpy ( ∂ H m E / ∂ P ) T , x , of the binary mixtures formed by vinyl acetate and benzyl acetate+ o-xylene, or m-xylene, or p-xylene at (303.15 and 313.15)K. From these dat...
Quantum chemical investigation of the molecular structure of some 2,3-dihydro-1,4-diazepines and related molecules
Accurate ab-initio and semi-empirical molecular orbital calculations with full geometry optimization were performed on the various tautomeric forms of some 2,3-dihydro-1,4-diazepines and related molecules. The highly accurate ab-initio calculations at the HF/6–31G∗∗ level with Möller-Plesset Second-Order Perturbation Theory (MP2) refinement clearly established the higher stability of the...

Spectroscopic investigation of novel donor–acceptor chromophores as specific application agents for opto-electronics and photonics
Donor–acceptor chromophores were synthesized by Knoevenagel condensation and characterized by using spectroscopic measurements (FT-IR, 1H NMR, 13C NMR, and mass) and elemental analyses. UV–Vis and fluorescence spectroscopic studies provided that these dyes are good absorbent and fluorescent. The results of photostability study showed that photobleaching of Dyes 2 and 4 was more significant ...
Study the electrical conductivity of crosslinked polyester doped with different metal salts
Three crosslinked polymers were prepared via condensation polymerization between triethanolamine and glycerol [(25:75%), (50:50%) and (0:100%) (G:TEA)] with maleic anhydride which produced polymers I, II and III consequently. All the prepared polymers were doped with metal salts (CuCl2, NiCl2 and FeCl2). D. C. conductivity was measured in the temperature range of (298–373K), the result showed...

Biosorption of Ni(II) from electroplating wastewater by modified (Eriobotrya japonica) loquat bark
Biosorption of nickel ions from aqueous solutions by modified loquat bark waste (MLB) has been investigated in a batch biosorption process. The biosorbent MLB was characterized by FTIR analysis. The extent of biosorption of Ni(II) ions was found to be dependent on solution pH, initial nickel ions concentration, biosorbent dose, contact time, and temperature. The experimental equilibrium biosorp...
Chemical composition and potential health risks of raw Arabian incense (Bakhour)
Burning Arabian incense (Bakhour) is a common indoor practice in the Middle East and the Arabian Gulf region. However, the chemical composition of this substance has never been studied. Three different Bakhour brands were selected for this study. A complete chemical profile for the raw samples was determined using carbon, hydrogen, and nitrogen elemental analysis, inductively coupled plasma opt...
Insights into the Optical and Anti-bacterial Properties of Biogenic PbSe Quantum Rods
The detailed optical properties of lead selenide (PbSe) quantum rods biosynthesized in marine Aspergillus terreus were apprehended theoretically using ab initio calculations based on the experimental absorption spectrum. These studies indicate that the absorption coefficient of the biosynthesized PbSe quantum rods increase linearly with incident photon energies. The variation of other optical c...
Kinetic Monte Carlo simulation of 2,4,6-thrichloro phenol ozonation in the presence of ZnO nanocatalyst
In the present study, kinetic Monte Carlo simulation has been used to study the mechanism of 2,4,6-thrichloro phenol (TCP) ozonation in the presence of ZnO nanocatalyst. Adsorption of ozone molecules on ZnO nanocatalyst and TCP degradation in O3–ZnO-catalytic system was simulated. Then, the mechanism of catalytic ozonation of TCP in the presence of ZnO nanocatalyst was suggested and rate cons...