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Chemistry Research

08:43 EST 21st November 2018 | BioPortfolio

Optically active inverse opal photonic crystals.

Chiral photonic crystals have been a widely investigated topic in chemistry, physics and biology. Till now, the researches about chiral photonic crystals are conducted on the objects of helical structures, while the chiral photonic crystals made of periodic chiral media remain unexplored experimentally. In this work, we have successfully constructed three-dimensional chiral polymer inverse opal ph...

Comparison of different chemically modified inhibitors of miR-199b in vivo.

MicroRNAs (miRNAs) have recently received great attention for their regulatory roles in diverse cellular processes and for their contribution to several human pathologies. Modulation of miRNAs in vivo provides beneficial therapeutic strategies for the treatment of many diseases as evidenced by various preclinical studies. However, specific issues regarding the in vivo use of miRNA inhibitors (anti...

Associations between maternal exposure to chemical fertilizers during pregnancy and the risk of offspring's low birth weights.

To explore the association between the consumption of chemical fertilizers and the risk of low birth weight (LBW), to provide references for prevention programs on LBW and to improve the birth outcomes. Stratified multivariate logistic regression method was used in this study involving 153 preterm LBW infants, 179 term LBW infants and 204 normal control infants that were randomly selected from th...

Synthesis, antituberculosis studies and biological evaluation of new quinoline derivatives carrying 1,2,4-oxadiazole moiety.

Tuberculosis is the infectious disease caused by mycobacterium tuberculosis (Mtb), responsible for the utmost number of deaths annually across the world. Herein, twenty-one new substituted 1,2,4-oxadiazol-3-ylmethyl-piperazin-1-yl-quinoline derivatives were designed and synthesized through multistep synthesis followed by in vitro evaluation of their antitubercular potential against Mtb WT H37Rv. T...

Colloidal systems chemistry. Replication, reproduction and selection at nanoscale.

Development of synthetic systems carrying life-like features is a long-standing challenge in chemistry and material science. Poor understanding of mechanisms ruling the emergence of life-like features in an inanimate matter makes the challenge even more exciting. The growing field of systems chemistry takes the lead in defining life-like dynamic signatures in minimalistic (macro)molecular systems ...

Changes in chemical and ultrastructural composition of ameroid constrictors following in vitro expansion.

To (1) characterise the chemical and ultra-structural composition of ameroid constrictors, at a native state and during in vitro expansion and (2) determine the presence of irritant compounds at the surface or within the bulk of the constrictor.

Piper nigrum Oil - Determination of Selected Terpenes for Quality Evaluation.

The growing demand and commercial value of black pepper () has resulted in considerable interest in developing suitable and cost-effective methods for chemical characterization and quality evaluation purposes. In the current study, an extensive set of oil samples (n = 23) that were extracted by steam distillation from black pepper seeds was investigated to compare the chemical profiles of samp...

Interplay between Aromaticity and Radicaloid Character in Nitrogen-Doped Oligoacenes Revealed by High-Level Multireference Methods.

Aromaticity is a multivariable concept in organic chemistry which plays a central role for understanding the structure, stability and reactivity of polycyclic aromatic hydrocarbons (PAHs). Several types of PAHs are characterized as singlet biradicaloid species and their chemical stability is intimately linked to the degree of aromatic character. In this study, theoretically designed routes to tune...

Qubit coupled cluster method: A systematic approach to quantum chemistry on a quantum computer.

A unitary coupled cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry problems on a quantum computer. Although being exact in the limit of including all possible coupled cluster excitations, practically, the accuracy of this appro...

Chemical-Chemical Combinations Map Uncharted Interactions in Escherichia coli under Nutrient Stress.

Of the ?4,400 genes that constitute Escherichia coli's genome, ?300 genes are indispensable for its growth in nutrient-rich conditions. These encode housekeeping functions, including cell wall, DNA, RNA, and protein syntheses. Under conditions in which nutrients are limited to a carbon source, nitrogen source, essential phosphates, and salts, more than 100 additional genes become essential. These ...

Beyond the Roles in Biomimetic Chemistry: An Insight into the Intrinsic Catalytic Activity of an Enzyme for Tumor-Selective Phototheranostics.

Protein-assisted biomimetic synthesis has been an emerging offshoot of nanofabrication in recent years owing to its features of green chemistry, facile process, and ease of multi-integration; as a result, many proteins have been used for biomimetic synthesis of varying kinds of nanostructures. Although the efforts on exploring new proteins and investigating their roles in biomimetic chemistry are ...

ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles.

In the last years, we have investigated the click-chemical space covered by molecules containing the triazole ring, we generated a database of 1,2,3-triazoles called ZINClick, starting from literature-reported alkynes and azides synthesizable in no more than three synthetic steps from commercially available products. This combinatorial database contains millions of 1,4-disubstituted-1,2,3-triazole...

Amniotic Membrane Transplantation in Acute Severe Ocular Chemical Injury: A Randomized Clinical Trial.

To compare the outcomes of conventional medical treatment versus combined medical treatment and amniotic membrane transplantation (AMT) in the management of patients with Roper-Hall grade IV ocular chemical injury.

Solution Stability of Poloxamer 188 Under stress Conditions.

Poloxamer 188 (P188) is a triblock copolymer of the form polyethylene oxide-polypropylene oxide-polyethylene oxide (PEO-PPO-PEO). The center PPO block is hydrophobic and the side PEO blocks are hydrophilic, resulting in surface-active properties. P188 has been used in the pharmaceutical industry as an excipient in various formulations and drug delivery systems. Although the chemical stability of P...

Pharmacological Study of Anti-inflammatory Activity of Aqueous Extracts of Mikania glomerata (Spreng.) and Mikania laevigata (Sch. Bip. ex Baker).

Mikania glomerata Spreng. (MG) and Mikania laevigata Sch. Bip. ex Baker (ML), popularly known as guaco, are medicinal plants similar in morphology, chemical composition and medicinal uses. Both species are often used and sold without distinction; however, it is believed that their chemical composition is different.

Piotr Konieczka, Jacek Namieśnik: Quality assurance and quality control in the analytical chemical laboratory: a practical approach, 2nd ed.

Physical and chemical behaviour of Nabali Mohassan single-cultivar olive oil during prolonged storage.

The effect of storage time on the fluorescence emission intensity and physico-chemical properties of olive oil from the Palestinian cultivar Nabali Mohassan was studied. Olive oil samples stored up to 7 years were obtained from different olive orchards in Palestine, where prolonged storage is still in use.

Electron transfer mediates vibrational relaxation of CO in collisions with Ag(111).

We report experimental results on the state-to-state vibrational relaxation of CO(v = 17) in collisions with Ag(111) at incidence translational energies between 0.27 eV and 0.57 eV. These together with previous results provide a comprehensive set of data on two molecules (CO and NO)-one open and one closed shell-and two metals (Ag and Au). In all four cases, the incidence vibrational energy has be...

Localized molecular orbitals for calculation and analysis of vibrational Raman optical activity.

We present a novel method for the calculation of vibrational Raman optical activity (ROA) spectra based on localized molecular orbitals. This allows to split total ROA intensities into contributions of subsets, which can be chosen flexibly depending on the question of interest. It provides an appealing way to gain deeper insight into the factors influencing chirality and associated bands observed ...

Patterned formation of enolate functional groups on the graphene basal plane.

Chemical functionalization of graphene is one method pursued to engineer new properties into a graphene sheet. Graphene oxide is the most commonly used chemical derivative of graphene. Here we present experimental evidence for the formation of enolate moieties when oxygen atoms are added to the graphene basal plane. The exotic functional groups are stabilized by simultaneous bond formation between...

Recent Progress in Microfluidics-based Biosensing.

Biosensors are analytical devices or systems used to detect a specific target by converting and amplifying a biomolecular recognition event to a dateable semi-quantitative or quantitative signal. Biosensors are powerful analytical tools for the detection of biological or chemical molecules.1 In general, a biosensor consists of biological recognition and signal output elements. There are some defin...

From Fundamental Theories to Quantum Coherences in Electron Transfer.

Photoinduced electron transfer is a cornerstone of energy transduction from light to chemistry. The past decade has seen tremendous advances in the possible role of quantum coherent effects in the light-initiated energy and electron transfer processes in chemical, biological, and materials systems. The prevalence of such coherence effects holds a promise to increase efficiency and robustness of tr...

Modeling of Magnetic Circular Dichroism and UV/vis absorption spectra using Fluctuating Charges or Polarizable Embedding within a resonant-convergent response theory formalism.

In recent years computational methods based on embedding have become of increasing popularity when aiming at introducing environmental effects into quantum chemistry calculations of molecular properties. This is due in particular to the efficiency of such methods while still retaining a high degree of accuracy compared to full quantum chemistry treatments. In the present paper we compare two popul...

Structure and Reactivity of a Mononuclear Nonheme Manganese(III)-Iodosylarene Complex.

Transition metal-iodosylarene complexes have been proposed to be key intermediates in the catalytic cycles of metal catalysts with iodosylarene. We report the first X-ray crystal structure and spec-troscopic characterization of a mononuclear nonheme manga-nese(III)-iodosylarene complex with a tetradentate macrocyclic ligand, [MnIII(TBDAP)(OIPh)(OH)]2+ (2). The manga-nese(III)-iodosylarene complex ...

A structure-based approach towards identification of inhibitory fragments for eleven-nineteen-leukemia protein (ENL).

Lysine acetylation is an epigenetic mark that is principally recognized by bromodomains and recently structurally diverse YEATS domains also emerged as readers of lysine acetyl/acylations. Here we present a crystallography-based strategy and the discovery of fragments binding to the ENL YEATS domain, a potential drug target. Crystal structures combined with synthetic efforts led to the identificat...

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