bluuebunny/crossref_metadata_2025 huggingface dataset:
Molbank and the Convergence of Open Access, Open Data, and Open Source in Chemistry
Authors: Apodaca Richard L.
Published: December 2024

Molbank, published by Molecuar Diversity Preservation International, is one of the oldest of a handful of Open Access journals in chemistry. Although its longevity is a remarkable accomplishment in itself, there is much more to Molbank than meets eye. Just below the surface is a feature so revolutionary, yet simple, that chemistry publishers years from now will wonder why they didn’t implement it sooner.
Casual Saturdays: Truthiness
Authors: Apodaca Richard L.
Published: December 2024

Greg Williams has done some great graphics using Wikipedia articles as source material.
Casual Saturdays: How Important is Science Education?
Authors: Apodaca Richard L.
Published: December 2024

[Video Scrubbed] This must be a hoax, but on the other hand…
Yet Another Free Chemical Database: Reaction Searching with CMLD-BU
Authors: Apodaca Richard L.
Published: December 2024

As chemical informatics continues its climb out of a decades-long stagnation, the number of free chemical databases continues to grow. But despite all the activity, reaction databases are notably under-represented.
Your Favorite Chemical Spreadsheet
Authors: Apodaca Richard L.
Published: December 2024

On a recent article describing ChemPhoto, Oleg Ursu commented: Although the appearance is similar, the purpose is different.
Jeux Sans Frontieres
Authors: Apodaca Richard L.
Published: December 2024

[Flash Content Scrubbed]
A Molecular Language for Modern Chemistry: FlexMol, Tetrahedral Chirality, and Monolaterol
Authors: Apodaca Richard L.
Published: December 2024

Models of structure and bonding play a critical role in guiding chemical research. These models also define the scope and limitations of any cheminformatics system. Within the last several years, the gap between the structure and bonding models used by chemical information systems and by the chemists who use them has been widening. On this front, chemistry is moving much faster than cheminformatics.
Freeform Natural Laws from Experimental Data
Authors: Apodaca Richard L.
Published: December 2024

More online is available here. This is not just an example of fascinating research. The group at Cornell demonstrates how easy it is to reach a wide audience using what the Web offers cheaply or for free. Few in chemistry have caught on to this simple idea. Thanks to Mat Todd for the heads up.
Painless Installation of Ruby Open Babel
Authors: Apodaca Richard L.
Published: December 2024

Open Babel 2.1.0 has just been released. Among its new features is a Ruby interface containing most of the functionality of the C++ library. Installation is quick and easy, as shown in this article. Prerequisites In addition to a working build system, you’ll need Ruby and the Ruby development libraries.
Hacking Molbank: Downloading a Complete Chemistry Journal
Authors: Apodaca Richard L.
Published: December 2024

The previous article in this series highlighted Molbank as a tool for studying the convergence of Open Access, Open Data, and Open Source in chemistry. This article will outline some of the technical and legal aspects of downloading and using Molbank content.
Chemoradiotherapy
Authors: Apodaca Richard L.
Published: December 2024

On June 8 my brain was irradiated with megavoltage X-rays for the last time — ever. I had mixed feelings about this. On the one hand, I was glad to be done with this phase of treatment. Just over two months previously I’d been diagnosed with glioblastoma, a terminal, incurable, and highly aggressive form of brain cancer. A surgery had removed all of the MRI-visible tumor, and then some.
Casual Saturdays: Kinetic Sculpture
Authors: Apodaca Richard L.
Published: December 2024

[Video Scrubbed]
Crazy Idea #443: Structure-Activity Relationship Studies Done Through Paid Crowdsourcing
Authors: Apodaca Richard L.
Published: December 2024

Don’t let the first few seconds of this video put you off. If you stick to the end, it explains a remarkable business model for bringing experts together with those with a problem to solve. Trada is a platform that creates a marketplace through which experts in search engine ad placement can find buyers for their services.
Stack Overflow - Technical Discussion Forums and Modern Chemistry
Authors: Apodaca Richard L.
Published: December 2024

Quick, name the most popular online technical forum for chemistry. Having a hard time coming up with an answer? You’re not alone. Despite a few attempts, there is no widely-recognized place to go online to exchange technical information in chemistry. Some Examples If you look hard, you can find chemically-oriented forums scattered around the Web. For example: Chemical Forums Perhaps the best-known discussion board for chemistry.
Cheminformatics in Any Language with MX Part 1 - Scala
Authors: Apodaca Richard L.
Published: December 2024

One of the best ways to keep current with new developments in programming is to try new languages. Fortunately, there are so many to choose from that finding an unfamiliar language is less of a problem than finding one that’s interesting enough to make the effort worthwhile. In this new series of articles, we’ll explore many of the most interesting programming languages through the lense of cheminformatics.
Twist and Shout
Authors: Apodaca Richard L.
Published: December 2024

Yet another case of axial chirality in the recent literature comes in the form of ion channel openers described by Vrudhula et al. A previous Depth-First article illustrated how most popular cheminformatics tools are incapable of distinguishing axially chiral enantiomers such as those shown above. If your application suddenly needed to do so, could it cope?
If the Wheel Doesn't Work, Reinvent it
Authors: Apodaca Richard L.
Published: December 2024

Chris Steinbeck has an interesting post on the CDK code review process that discusses a new VF implementation. In it, he notes: For the unfamiliar, VF is a subgraph matching algorithm that has been shown to perform better than Ullmann for small graphs, and much better than Ullmann for large graphs. Faced with essentially the same problem of implementing VF in Java for MX, I abandoned my early efforts to port the VFlib C++ implementation.
Cheminformatics, Crowds, and Cha-Ching
Authors: Apodaca Richard L.
Published: December 2024

This second paper on the subject of power laws and synthetic organic chemistry (previous paper) is chock full of interesting and potentially useful observations on the principles behind the art, science, and business of synthetic organic chemistry. Whether you’re a chemical supplier looking to optimize return on investment or an assistant professor struggling to do ‘relevant’ research, this article is a must-read.
Building Chempedia: Learning About Contributors
Authors: Apodaca Richard L.
Published: December 2024

Chempedia is a free online chemical encyclopedia similar in concept to the Merck Index, but radically different in implementation. One key difference: the Merck Index is compiled by a small number of paid professionals while Chempedia is compiled by thousands of unpaid volunteers. Although this distinction raises a host of intriguing questions, one of the most basic revolves around what can be said about these volunteers in the aggregate.
Chemical Markup Language and Ferrocene Part 1: Chem4Word and Breaking with the Past
Authors: Apodaca Richard L.
Published: December 2024

Chemical Markup Language (CML) is an XML-based language for chemistry developed by Peter Murray-Rust, Henry Rzepa and many other contributors. Designed as a communication medium for chemistry based on open standards, CML aims to provide a uniform, extensible system for representing, storing, and transmitting chemical information. CML enables a range of concepts to be modeled, including molecules, reactions, and chemical metadata.
Creating Canonical SMILES with Ruby Open Babel
Authors: Apodaca Richard L.
Published: December 2024

Unlike many data types, molecular structure representations are not normally unique. Each numbering system you choose for the atoms and bonds of a molecule gives rise to completely accurate, but degenerate molecular representations. This is one of the fundamental peculiarities of chemical information - and the focus of much research activity over the last sixty or so years.
JavaScript for Cheminformatics - Using the Prototype Framework
Authors: Apodaca Richard L.
Published: December 2024

If you want to do the kind of cheminformatics that involves manipulating atoms, bonds, and molecules, object-oriented programming works well as a development paradigm. Although perhaps not readily apparent, JavaScript offers everything needed to create object-oriented models just as intricate at those written in languages like C++ and Java. This article discusses one approach that makes use of the Prototype Framework.
James Gosling Unplugged
Authors: Apodaca Richard L.
Published: December 2024

Earlier this week, James Gosling fielded a variety of questions from the San Diego Java Users’ Group. Subjects ranged from the deeply technical to the ridiculously political, and the entire event was simply great. Here, in no particular order, were some of the highlights: Question: “What’s your least favorite word?” Answer: “Action Item.” My kind of guy. Virtually all banking transactions on the planet are processed by Java code.
Open Source Cheminformatics Tools and Data
Authors: Apodaca Richard L.
Published: December 2024

Rajarshi Guha gives a good overview of the state of the art and challenges.
Extreme Data Visualization
Authors: Apodaca Richard L.
Published: December 2024

Using what is without question the most unusual (innovative) data visualization technique I’ve ever seen, Postgenomic has created Pubmed Faceoff. The idea is simple: humans have evolved highly sophisticated face recognition abilities; why not exploit this ability in the visualization of multidimensional datasets?
A First Look at Modular Chemical Descriptor Language (MCDL)
Authors: Apodaca Richard L.
Published: December 2024

Molecular line notations reduce a molecular structure to a string of ASCII characters. This is helpful in a variety of situations: as a method of text-based structure input; as a compact representation that can be stored and transmitted over a network; and in some cases as a method for uniquely identifying a molecular structure. The development of line notations is one of the oldest pursuits in chemical informatics.
Sixty-Four Free Chemistry Databases
Authors: Apodaca Richard L.
Published: December 2024

The open Web offers a rich collection of diverse chemical data sources - if you know where to look. It’s been over four years since I wrote the previous post in this series describing some emerging chemical databases, and a lot has happened in this space. The time seems right for an update. Although some of the original databases are no longer active, it’s encouraging to see that a number of them continue to run and even prosper.
Advice to Job-Seekers from C&E News - Blog Thyself
Authors: Apodaca Richard L.
Published: December 2024

You know something’s gone mainstream when chemistry’s flagship magazine,

Chemical & Engineering News

, recommends it. The current issue contains an article offering five tips for a better job search. And right there at number three is “Connect through blogging.” What specifically should job-seekers be doing with their blogs?
Ten Reasons to Use ChemWriter in Your Next Web Application
Authors: Apodaca Richard L.
Published: December 2024

The Web has vast, untapped potential as a medium for creating and distributing chemical information. One factor that continues to keep chemistry and the Web at arm’s length is lack of cheminformatics tools designed specifically for use in Web applications. Tools that embrace the Web’s technical capabilities and limitations. Tools designed for ease of use in a Web context. Tools that anticipate the Web’s future directions.
Customize InChI Output with Rino
Authors: Apodaca Richard L.
Published: December 2024

Rino is a toolkit for working with the IUPAC International Chemical Identifier (InChI) in Ruby. Because it’s based on the IUPAC/NIST InChI toolkit, Rino can be configured using a variety of useful options. This article summarizes those options and provides an illustrative example.
GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network
Authors: Apodaca Richard L.
Published: December 2024

In a move likely to up the ante in the emerging Open Source Drug Discovery movement, GlaxoSmithKline have announced the donation of genomic profiling data for over 300 cancer cell lines to the National Cancer Institute’s cancer Bioinformatics Grid (caBIG). According to NCI’s FAQ, caBIG is “an open-source, open-access information network enabling cancer researchers to share tools, data, applications, and technologies according to agreed-upon
Hacking Molbank: Creating a Graphical Table of Contents
Authors: Apodaca Richard L.
Published: December 2024

Molbank is an Open Access collection of single-compound articles on synthetic chemistry. Previous articles on Depth-First have highlighted Molbank’s practice of including machine-readable molecular representations of its content, and its very liberal policy on mirroring and robots. In this article, we’ll take advantage of both of these features to build something that was left out of Molbank: a graphical table of contents.
A Molecular Language for Modern Chemistry: Getting Started with FlexMol
Authors: Apodaca Richard L.
Published: December 2024

Existing molecular languages are limited in their ability to represent such commonplace features as multi-center bonding and axial chirality. The practical outcome of these limitations can be seen in PubChem’s four separate entries for ferrocene and the inability to fully represent many molecules now in common use by organic chemists.
Open Access in Organic Chemistry
Authors: Apodaca Richard L.
Published: December 2024

In a recent interview, Peter Murray-Rust offers some very interesting comments on Open Access in chemistry. Beilstein Journal of Organic Chemistry remains the only widely-available Open Access option for chemical publication backed by a major publisher. With these thoughts in mind, I offer an update to my previous compilation of their statistics.
Free Access to ACS Publications and Why You Can't Have It (Yet)
Authors: ACS Although
Published: December 2024

Although not widely-known, the American Chemical Society permits unlimited, free article downloads across its vast journal lineup without a subscription thanks to the Articles on Request program (AoR). Of course there is a catch, explained below, but the official ACS Publications policy is that a significant portion of its collection can in principle be downloaded by anyone for free.
A Molecular Language for Modern Chemistry: Reading FlexMol Documents with Octet
Authors: Apodaca Richard L.
Published: December 2024

An XML language is only as useful as the software tools that take advantage of it. Previous articles have discussed how the XML language FlexMol can solve a variety of molecular representation problems ranging from the multiatom bonding of metallocenes to the axial chirality of biaryls. Octet is a framework written in Java that speaks FlexMol natively. In this article, I’ll show how Octet can be used to read a sample FlexMol document.
Tumor Board
Authors: Apodaca Richard L.
Published: December 2024

Being diagnosed with terminal brain cancer is bad enough without conflicting medical opinions. But in mid-April this is exactly where things stood for me. Dr. Neuro-Oncologist and Dr. Staff Surgeon, two members of my treatment team, had looked at my recent brain MRI and arrived at diametrically opposing interpretations. One said a new tumor, growing like crazy, had appeared since my surgery, and the other said there was nothing unusual going on.
Penny Codes
Authors: Apodaca Richard L.
Published: December 2024

A fingerprint is a molecular representation that omits certain kinds of structural information with the goal of increasing computational speed. The success of this approach is evidenced by numerous modern applications ranging from structure search to property prediction. A good fingerprint trades just enough structural information to achieve the desired computational goal, so flexibility matters.
Dichloroacetate
Authors: Apodaca Richard L.
Published: December 2024

As the end of chemoradiation therapy drew near, I considered next steps. In March I’d been diagnosed with a tennis ball-sized malignant brain tumor. The condition, glioblastoma, is incurable and universally fatal. The tumor had been surgically removed, but was bound to come back. Before it killed me over the next year or so, glioblastoma would inflict untold misery not just on me, but the people I cared about.
Roll Your Own Chemical Database With Free Components
Authors: Apodaca Richard L.
Published: December 2024

Are you thinking of building a free chemical database but would rather not rent and maintain a bunch of proprietary software components?
Software, Science, and Startups
Authors: Apodaca Richard L.
Published: December 2024

Startup School brings together hackers interested in building new companies. I’ll be headed to this year’s event, which takes place at Stanford University on March 24th. The speaker linup includes Paul Graham (Viaweb/Yahoo Store), Mitchell Kapor (Lotus), and Paul Bucheit (Gmail). If you’ll be in the neighborhood and would be interested in talking software, science, or startups, I’d like to hear from you.
ScienceHack: YouTube Meets Chemistry
Authors: Apodaca Richard L.
Published: December 2024

If a picture is worth a thousand words, a video must be worth a million. ScienceHack offers a service that helps users find free videos in a variety of scientific fields, including chemistry. Perhaps more noteworthy than the service itself is how ScienceHack works. Rather than relying on robotic indexing agents, ScienceHack claims to use real scientists to screen its links to videos.
Extending InChI Stereochemistry
Authors: Apodaca Richard L.
Published: December 2024

As covered by Reuters and many other wire services, ArtusLabs and Boston University’s CMLD have teamed up to extend InChI’s stereochemistry support: With the increasing use of molecules containing axial chirality , planar chirality and other forms of non-tetrahedral stereogenicity in chemistry, the move by ArtusLabs and CMLD could be significant.
Building a Molecule Preview with Firefly - The Joy of Swing
Authors: Apodaca Richard L.
Published: December 2024

Previous articles have discussed Firefly, the codename for a new 2D structure editor for the Web. Although it can be deployed as a self-contained applet on Web pages, Firefly is composed of modules that are readily re-used. By taking advantage of this design and Java’s native UI toolkit Swing, new UI elements can be built with relatively little effort.
Scripting Java with Ruby: Yet Another Java Bridge
Authors: Apodaca Richard L.
Published: December 2024

New technologies attempting to compete with older technologies need to provide a clear upgrade path, if they are to succeed. A case in point is Ruby. Many Java developers’ reaction to this language has less to do with its capabilities and more to do with previous investments in Java. What good is a new language if the special library X that you depend on needs to be rewritten from scratch?
Never Draw the Same Molecule Twice: Viewing Image Metadata
Authors: Apodaca Richard L.
Published: December 2024

Chemists are accustomed to embedding live molecular objects in their documents with Microsoft Word/ChemDraw. These objects can then be reprocessed and embedded into other documents, such as PowerPoint presentations, saving enormous amounts of time. What if the same feature were available with Web documents? A recent D-F article proposed a method to encode molecular structure data within commonly-used Web image formats such as PNG.
Chemistry, The Web, and Netflix
Authors: Apodaca Richard L.
Published: December 2024

If you’ve ever rented movies from Netflix, you’ve probably noticed the information box that pops up when you hover over a movie image. If you just want a quick peek at what a movie is all about, this simple feature can save a great deal of time and effort in mousing around, clicking, and general navigation annoyance.
Point and Shoot Chemical Informatics Software
Authors: Apodaca Richard L.
Published: December 2024

One of my favorite software-related blogs is Signal to Noise. It’s contributors are employees of the web application company 37signals, one of whom is the founder of the Ruby on Rails project. This company is very focused on its customers, and it shows. The information here ranges from software development strategies to product design. A recent article discusses the concept of point and shoot software.
Thinking of Founding a Science Startup? Look to What's Getting Cheaper
Authors: Apodaca Richard L.
Published: December 2024

Deepak Singh recently started an interesting discussion (and follow-up about the need for organizations that help early-stage bioscience startups in the same way that YCombinator does in the Web space.
The Mysterious Google Chrome SVG Bug
Authors: Apodaca Richard L.
Published: December 2024

A number of people have taken the time to try ChemWriter 2 and offer detailed feedback about their experience. To my surprise, the most common issue reported has to do with atom and bond hovering on Google Chrome. Simply put, it doesn’t work.
What's Broken in Cheminformatics?
Authors: Apodaca Richard L.
Published: December 2024

A while back, Seth Godin gave a talk on things that are broken, why they are broken, and why they stay broken (video). Seth is one of those rare speakers who can entertain and inform at the same time. I especially liked how his talk identifies seven (maybe more) reasons for brokenness. As I watched Seth’s talk, it wasn’t hard to think of many examples in which chem(o|i)informatics is broken.
Install Open Babel Into Your Home Directory - You Don't Need Root
Authors: Apodaca Richard L.
Published: December 2024

Occasionally you may want to install Open Babel into your home directory, or some other non-root directory. This problem most commonly crops up when using a server on which you don’t have root privileges. Another reason could be that you’re practicing or experimenting, and just want to keep the mess out of your system directories. The following tip shows how to install Open Babel to an arbitrary directory on your filesystem.
Porting MX - CDK-Compatible VF Implementation
Authors: Apodaca Richard L.
Published: December 2024

Substructure search is a fundamental cheminformatics operation, and an especially important component in chemical structure databases. Although a few algorithms for atom-by-atom comparison of two structures are available, one of the fastest is VF, which is implemented in MX, a lightweight cheminformatics toolkit.
Just Saying "No" to Adjuvant Temozolomide
Authors: Apodaca Richard L.
Published: December 2024

The end of chemoradiotherapy in early June was an important milestone for me. In late March I’d been diagnosed with a tennis ball-sized malignant brain tumor, a terminal condition known as glioblastoma. Since diagnosis, most treatment decisions had been automatic because my doctors were following the “Standard of Care” (SoC). This consisted of, first, surgery to remove and characterize the mass.
JRuby for Cheminformatics - Parsing SMILES Simply
Authors: Apodaca Richard L.
Published: December 2024

The previous article in this series outlined some reasons to consider JRuby for cheminformatics. Now I’ll show how easy it is to get started by describing how to parse SMILES strings with the help of the Chemistry Development Kit (CDK). What About Ruby CDK? A number of Depth-First articles have discussed Ruby CDK.
The Automatic Encoding of Chemical Structures
Authors: Apodaca Richard L.
Published: December 2024

The success of any new molecular encoding method relies, in part, on its invisibility to its prospective users. After all, why should anyone bother to learn yet another molecular language, especially one designed with computers in mind? Yet these encoding systems are critical in connecting chemical information and information technologies. How can any new encoding method be made part of existing workflows invisibly?
The Problem with Ferrocene
Authors: Apodaca Richard L.
Published: December 2024

Four different Compound Identifiers. Three different canonical SMILES. Three different InChIs. This is how Ferrocene is represented in PubChem. Even more strangely, none of bonding arrangements accurately reflect the ways most chemists would think about it. It’s not a Good Thing to list the same compound under four different entries in the same molecular database. In the best case it’s inconvenient.
Atom Labels Now Available in ChemWriter 2
Authors: Apodaca Richard L.
Published: December 2024

Correctly scaling and placing atom labels is one of the most difficult parts of writing a chemical structure editor. With its latest preview release, ChemWriter 2 has crossed this barrier. For the unfamiliar, ChemWriter 2 is a pure JavaScript chemical structure editor that can be embedded in web pages without any browser plugins.
Trey: A Toolkit for V3000 Molfiles and RGfiles
Authors: Apodaca Richard L.
Published: December 2024

The CTfile (aka “molfile”) format can be found throughout cheminformatics and computational chemistry. Two versions are available: V2000 and V3000 (aka “V2K” and “V3K,” respectively). The former is widely supported but lacks features that can make it difficult to use in modern settings. The latter supports these features but lacks widespread, robust tooling due in part to more complex semantics and syntax.
Making the Case: Topological Maximum Cross Correlation
Authors: Apodaca Richard L.
Published: December 2024

Science happens when the experiments and conclusions of your fellow scientists can be freely questioned and independently verified. For example, readers of the cited paper may have questions about the assumptions in the TMACC method, or how to implement it. Questions may be raised about the suitability of the data set used and how others would perform.
Stone Knives and Bear Skins
Authors: Apodaca Richard L.
Published: December 2024

Through Andrew Dalke’s blog, I came across an online museum dedicated to early molecular graphics. One section is amazing. It describes the work of Cyrus Levinthal, who in the mid 1960’s built the first interactive molecular graphics system. Users viewed 3-D molecular images on an oscilloscope screen (vector graphics!), and manipulated them with a trackball-like device. The system, called “Kluge”, handled both small molecules and proteins.
Updating Ruby CDK
Authors: Apodaca Richard L.
Published: December 2024

It’s been over two years since Ruby CDK was first announced. For the unfamiliar, Ruby CDK offers a convenient way to use the Chemistry Development Kit from the MRI Ruby implementation. Over the least several months, I’ve received quite a few emails about Ruby CDK. Many of the questions and comments revolve around the library now being out of date with both Ruby and CDK.
Symposium: Recent Progress in Chemical Structure Representation
Authors: Apodaca Richard L.
Published: December 2024

I’d like to invite everyone who will be in Boston for the Fall 2010 ACS Meeting to a symposium on recent progress in chemical structure representation that I’m organizing. The lineup features a mix of academic and industrial scientists, with topics ranging from graphics to file formats/line notations to bioinformatics integration.
Hacking PubChem - Learning to Speak PUG
Authors: Apodaca Richard L.
Published: December 2024

A previous article introduced PubChem’s Power User Gateway (PUG), an XML-based communication channel. Although NIH kindly supplies a commented schema for PUG queries and responses, there’s nothing like seeing real examples when learning a new language. This article will describe one method for conveniently generating PUG XML queries.
Influence of year and soil type on the yield of different maize hybrids
Authors: Rajičić Vera , Stojiljković Jelena , Đurić Nenad , Tupajić Ivan , Šević Biljana , Perišić Vesna , Terzić Dragan
Published: December 2024

During the three-year field trials (2017, 2018 and 2019), 9 maize hybrids of different FAO maturity groups (400-600) were tested. The experiment was set up in three locations - three types of soil, in the Jablanica district, to recommend hybrids for the studied area based on the yield obtained, depending on soil type and the year of cultivation. During the three-year research, the hybrids achieved the highest average yields in 2018, when the amount and distribution of precipitation were most favourable, while the lowest average yield was obtained in 2017, when the amount of rainfall was insufficient during critical development stages. The highest average yields were produced on an alluvium soil, in the area of Leskovac (12.418 t ha-1), and the lowest on parapodzol, in the village of Orašje (8.672 t ha-1). The highest average grain yields in 2017, 2018 and 2019 were achieved by the hybrids ZP 560 (12.820 t ha-1), ZP 606 (15.569 t ha-1) and ZP 560 (14.863 t ha-1), respectively. The higher yields in 2018 can be attributed to higher amounts and a more favourable distribution of precipitation during the growing season than under the agroclimatic conditions in 2017 and 2019.
Changes in cold-pressed oil due to roasting of hazelnut kernels
Authors: Radovanović Mirjana , Kurtić Jelena , Petković Marko , Miletić Nemanja , Đurović Vesna
Published: December 2024

Hazelnut oil is a high-quality nutritional product, especially the oil obtained by cold pressing. Cold-pressed oils generally retain the original chemical composition and nutritional value of the hazelnut kernel. Due to the presence of unsaturated fatty acids, hazelnut oil is subject to oxidative and thermo-oxidative changes depending on whether the oil or kernels have been subjected to inappropriate storage or heat treatment. In this study, the influence of roasting hazelnut kernels at 180 °C for 24 minutes on cold-pressed oil was investigated. Roasting hazelnut kernels caused an increase in acid value in cold-pressed oil, which could indicate hydrolytic changes in triacylglycerols. There was a decrease in the refractive index, which also indicates changes in triacylglycerols and fatty acids. Roasting the kernels had no effect on the content of water and volatile matter. No peroxides were detected either, regardless of whether the kernels were subjected to heat treatment. However, it is clear from the specific absorbance values that the roasting of the hazelnut kernels initiated oxidative processes, and the change in the UV/Vis spectrum clearly indicates that the heat treatment of the kernels led to a deterioration of the oil, possibly as a result of changes in unsaturated bonds. However, the quality parameters of the cold-pressed oil from heat-treated kernels, i.e., the water and volatile matter content as well as the acidity and peroxide values, are in accordance with the regulations, as the changes in these parameters were minor or non-existent.
Fresh sweet cherry fruit characterization and differentiation by Raman spectroscopy coupled with PCA
Authors: Volić Mina , Obradović Nataša , Milošević Nebojša , Pećinar Ilinka
Published: December 2024

This study has shown that Raman spectroscopy can be used to analyze the unique patterns of sweet cherry cultivars ('G-2', 'Burlat', 'Canetova', 'Ohridska Crna', and 'Dolga Šiška'). As the minor scattering effect of water molecules guarantees no water interference, Raman spectroscopy can be applied to unprocessed, fresh fruits compared to other methods. The obtained Raman spectra indicate that using the above method can effectively confirm the authenticity of different cherry varieties. By combining Raman spectroscopy with principal component analysis (PCA), samples nutritionally similar to studied cherry cultivars can be distinguished.
Artificial intelligence, transhumanism and biopolitics: Theoretical frameworks in the past two decades
Authors: Popović Miroslav , Kulenović Nina
Published: December 2024

The aim of the article is to present the theoretical frameworks of the anthropology of artificial intelligence (AI) and transhumanism, with reference to the concept of biopolitics, since the beginning of the 21st century. The introductory part briefly looks at the phenomenon of AI and the anthropological study of it, which is pursued within the broader context of anthropological studies of technology. The basic question analysed in artificial intelligence studies is man's relationship to technology and its place and role in the development of humanity. The authors also find it important to consider how the development of technology, and of AI within it, can affect the distribution of power and control systems of economic processes, primarily economic growth, migration and health. Finally, the results of anthropological research on AI and transhumanism are presented. In the conclusion, the authors briefly review the importance of AI and transhumanism research results and their role in the future development of anthropology and other social sciences.
The Habsburg border control policy against the spread of the plague: An example of instruction on health matters in the 18th century
Authors: Đorđević Miloš
Published: December 2024

The paper analyzes the documents of the Court Sanitary Commission in Vienna on measures to suppress the threat of plague on the border with the Ottoman Empire. The documents refer to a wide border area in the 1730s and include instructions for the improvement of the Sanitary cordon, the organization of quarantines and the deployment of medical personnel. Peacetime period marked new methods the state applied to discard risks of population mass die-off due to epidemics of the disease whose causes science of the time still did not recognize. Gradual adapting of epidemics defense mechanism during the century should have led to better prediction of levels of risk, aiming to bring sanitary measures in Habsburg Monarchy through statistical estimations closer to mechanisms existing in other European countries. The aim of this paper is to show the steps in the establishment of a unified mechanism of defense against the plague in the various Habsburg border provinces.
A brief look at the disciplinary issues on the Upper Rhine front during the Nine Years' War 1688-1697
Authors: Abramović Vladimir
Published: December 2024

The issue of discipline was very important for early modern armies. Considering the usual social background of soldiers, them being a surplus of the rural population, social outcasts, criminals who joined the army as a way to commute their sentences, or other "undesirables", the discipline was very harsh, sometimes bordering on inhumane. On top of that, the harsh conditions of the 17th century warfare led to further brutalisation of soldiers, which in turn necessitated tighter control over them. In this paper, we will analyse the disciplinarian problems faced by the Imperial forces on the Rhine front during the Nine Year's War (1688-1697), especially during the period of command of Prince Louis William, Margrave of Baden-Baden (1693-1697).
The urban reality of Serbia at the beginning of the 21st century: Demographic aspect
Authors: Đurkin Danica
Published: December 2024

With more than half the world's population living in cities, the 21st century is known as the urban century. However, in an urbanized world that goes hand in hand with a growing world population, a "silent" process of urban shrinkage has occurred for some time. In the first decades after the Second World War, the decline of cities was initially limited to the old urbanized regions of the world. In the late 20th and early 21st century, it spread to developing countries and has become a global phenomenon. The Serbian urban population grew from the 1960s to the 1980s, and stagnating in the 1990s. Complex spatial-demographic and socio-economic changes during the post-socialist transition have determined the demographic development of urban settlements in Serbia towards shrinkage. At the beginning of the 21st century, the urban population in Serbia has slightly decreased and the disproportions in population development between urban settlements have deepened, reinforcing the previously existing urban polarization. In the last decade, a negative average annual rate of change in the urban population in Serbia was recorded. As a result, more than 80% of urban settlements in Serbia are affected by urban shrinkage. The paper analyses the development of the total population in 167 urban settlements in Serbia from 1961 to 2022. The paper aims to identify trends in population dynamics in Serbia, focusing on the phenomenon of urban shrinkage in the 21st century.
Intercensal population estimates in Serbia 2011-2022: Are they necessary?
Authors: Marinković Ivan
Published: December 2024

Censuses in Serbia often incorporate new methodological solutions, making it increasingly challenging to track population trends over time. Understanding methodological innovations in censuses and aligning census data with vital statistics are prerequisites for any scientific analysis and interpretation of population dynamics. Methodologically sound data are particularly important for population estimates, which are typically generated after a census (referred to as postcensal estimates). The Statistical Office of the Republic of Serbia primarily produces postcensal estimates, while intercensal estimates (estimates made between two censuses) are used internally and are not published or used to update previously released data. This paper aims to highlight specific methodological discrepancies in the data used to calculate key demographic indicators and to open a discussion on the necessity of producing intercensal estimates. The findings reveal the extent to which the population wasnerated after a census (referred to as postcensal estimates). The Statistical Office of the Republic of Serbia primarily produces postcensal estimates, while intercensal estimates (estimates made between two censuses) are used internally and are not published or used to update previously released data. This paper aims to highlight specific methodological discrepancies in the data used to calculate key demographic indicators and to open a discussion on the necessity of producing intercensal estimates. The findings reveal the extent to which the population was overestimated in official figures due to the omission of international migration data during the preparation of these estimates. This omission has impacted the accuracy of demographic and various socio-economic indicators that rely on population data for calculation. Intercensal estimates not only allow for the correction of some of these indicators but also provide a foundation for estimating the volume of emigration from Serbia during the intercensus period.
Different types of soil stabilization techniques
Authors: Đurđevac Vanja , Ignjatović Snežana , Ignjatović Dragan , Savić Dragana
Published: December 2024

Soil stabilization is the process of improving physical, mechanical and dynamical properties of soil and increasing the bearing capacity. During the construction of a structure (road, building, etc.), it is necessary that the soil, where the structure will be located, meets the designed characteristics (physical, mechanical and deformation). In case, during the examination of the said soil, it is determined that it does not meet the given criteria, the improvement of the soil is started. This paper will describe the basic principles and types of soil stabilization.
Impact of selecting the cutting technology on production time and cost
Authors: Drndarević Branko , Nedić Petar , Vulović Dušan , Milovanović Aleksandar , Čeković Ivana
Published: December 2024

This paper analyzes the technology of cutting processing for supports the mold clamping jaws made of 1C60 material. The number of clamping moves, required to produce the workpiece, is defined, as well as the adoption of necessary cutting tools with appropriate cutting modes on the basis of used material and CNC machine. A detailed analysis is provided for the circumferential milling of pockets with diameters of Ø250 mm and height of 30 mm, Ø200 mm and height of 30 mm, and Ø100 mm and height of 40 mm. This is due to the material volume processed per unit of time, which significantly affects the production time of a workpiece. The impact of selecting the offered circumferential milling operations in the HSMWorks software package on production time and tool life is analyzed, using the 2D Pocket and 2D Adaptive Clearing software options. A comparative analysis of the workpiece production time and cost is provided.
Design of a pedestrian bridge on the displaced riverbed of the Ćehotina River in Pljevlja, Montenegro
Authors: Jovanović Nikola , Stefanović Jelena , Živanović Miloš , Pavlović Zlatko , Miljković Nikola
Published: December 2024

This paper aims to review the design of a pedestrian bridge on the displaced riverbed of the Ćehotina River in city Pljevlja. The footbridge is intended for pedestrian and cyclist traffic. The design of the pedestrian bridge is part of the Main Design of Bridges on the Displaced Riverbed of the Ćehotina River. The paper describes in detail the bridge design, the choice of a static calculation software, as well as which standards were used for dimensioning the elements and adopting legally prescribed bridge dimensions.
Perinatal predictors of neurodevelopmental outcomes in high-risk neonates
Authors: Hajric Zlata , Hadzic Devleta , Skokic Fahrija
Published: December 2024

Background: Thanks to advancements in neonatal medicine, perinatal morbidity has been significantly reduced, but the number of high-risk neonates continues to rise. Efforts to predict neurodevelopmental outcomes at an early age remain limited. The aim of this study was to analyze perinatal predictors of neurodevelopmental outcomes in high-risk neonates. Methods: A prospective, longitudinal two-year study was conducted at the Pediatric Clinic of the University Clinical Center in Tuzla. The study included 151 neonates, with 99 in the test group (with known perinatal risk factors) and 52 in the control group (without risk factors). Early neurodevelopment was assessed using the Alberta Infant Motor Scale (AIMS). Standard statistical methods were applied for data processing. The study was approved by the Institutional Ethics Committee. Results: Of the 151 neonates observed, 108 (71.5%) had normal neurodevelopment at 18 months, 29 (19.2%) had mild disorders, and 14 (9.3%) had developmental delays. In the group with suboptimal neurodevelopment, significantly more twin pregnancies, health problems during pregnancy, unnatural births, artificial fertilization, and pregnancy complications were recorded. In neonates, there were significantly more premature births, hypoxic-ischemic encephalopathy, and intracranial hemorrhages. Significant correlations were found between the mother's age and parity and delayed neurodevelopment. Additionally, correlations were found between birth weight, gestational age, Apgar score, length of hospitalization, and NICU stay with neurodevelopmental delay. Gestational age and the Apgar score at 1 minute showed significant negative predictive value for neurodevelopmental delay. Conclusion: Prematurity and perinatal asphyxia remain the greatest risks for adverse neurodevelopmental outcomes in neonates. These factors should be the focus of continued medical research and clinical practice. Neonates at the highest risk of developmental delay and their families should be prioritized for early identification, long-term follow-up, and timely interventions.
Quản lý nhà nước về an sinh xã hội đối với người lao động tại các doanh nghiệp
Authors: Bùi Thị Thu Hà  , Vũ Thị Minh Xuân
Published: December 2024

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Phòng, chống tội phạm buôn lậu khu vực biên giới phía Bắc của Bộ đội Biên phòng
Authors: Bùi Công Long
Published: December 2024

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Chủ trương, chính sách của TP. Hồ Chí Minh về trọng dụng cán bộ, công chức, viên chức
Authors: Trương Cộng Hòa  , Phạm Thị Hằng
Published: December 2024

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Giải pháp thực hiện hiệu quả chính sách phát triển nhân lực trong cơ quan hành chính cấp tỉnh tại Hà Nam
Authors: Nguyễn Mạnh Hùng  , Nguyễn Thị Huệ
Published: December 2024

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Graphs, Formulas and Tables relevant to Transport Phenomena
Authors: Rohde Martin
Published: December 2024

This book provides relevant information required during BSc-level courses on Transport Phenomena, encompassing micro- and macroscopic balances, correlations for friction, heat transfer and species transport and material properties. The information comes in handy during exercise classes and written exams.
Energy-Efficient Photovoltaic-Based Motor Drive With Interleaved Boost Converter For Electric Vehicle
Authors: S Priyadharsini , P Subha Karuvelam
Published: December 2024

The Electric Vehicles (EVs) are revolutionary in the transport sector and leads to the phasing out of conventional fuel vehicles. The Renewable Energy Sources (Res) is used for EV. The EV vehicles are cost effective, environmental friendly. For the proportion of EV, Permanent Magnet Brush Less Direct Current (PMBLDC) motor is used in the Photovoltaic (PV) system. The energy from the PV system is always low due to the environmental conditions, inorder to boost the voltage, this paper proposes Interleaved Boost Converter (IBC) to hybridize energy alternatives in EVs. The energy obtained from the PV system is DC. To step up the DC voltage from the PV array it is required level an interleaved boost converter is integrated. It ensure continous power flow, reduces ripple current and improves the overall power quality of the system.. The drive system’s performance for various operating modes, such as stable and varying load conditions are examined from the simulations. The PMBLDC motor helps in effectively managing speed with accordance with the PI controller. The developed system’s is evaluated by MATLAB simulations to verify its effectiveness. The presented converter achieves the highest efficiency of (93%) compared to other conventional methods.
O Pandeirista e sua múltipla atuação no campo de trabalho musical
Authors: Oliveira Mateus Espinha , Campos Lúcia
Published: December 2024

Este artigo revisa parte da produção bibliográfica acerca da atuação de destacados pandeiristas brasileiros no campo de trabalho musical. Foram obtidos registros disponíveis em momentos distintos da historiografia da música brasileira. Para falar sobre o período contemporâneo, foram utilizados dados sobre quatro pandeiristas, cujas trajetórias vêm sendo acompanhadas em uma pesquisa de doutorado ainda em andamento.
تحديات البيئة المدرسية و اثرها علي التحصيل الدراسي للتلاميذ في المرحلة الإبتدائية في ولاية شرق دارفور محلية الضعين.
Authors: الصادق علي الصالح
Published: December 2024

هدفت الدراسة الى التعرف على تحديات البيئة المدرسية و اثرها علي التحصيل الدراسي للتلاميذ في المرحلة الإبتدائية في ولاية شرق دارفور محلية الضعين. حيث إستخدم الباحث المنهج الوصفي التحليلي في إجراء الدراسة وجمع المعلومات . وتكون مجتمع الدراسة من معلمي المدارس الحكومية في ولاية شرق دارفور محلية الضعين حيث بلغ عددهم (83) معلم ومعلمة تم إختيارهم  عن طريق العينة العشوائية من مجتمعهم الكلي البالغ (120) معلم ومعلمة . وإستخدم الباحث الإستبانة كأدة للدراسة ، وتم استخدام برنامج الحزم الإحصائية (spss) لمعلالجة البانات . حيث استخدم الباحث النسب المؤية والمتوسطات  الحسابية والإنحرافات المعيارية وقيمة كاي 2  . وتوصلت الدراسة الى النتائج التالية .
1- توجد علاقة ذات دلالة إحصائية بأن للمعلم اهمية فاعل في توجيه طلاب المرحلة الإبتدائية نحو التحصيل الدراسي  .
2- للإدارة المدرسية تأثير واضح و فعال في التحصيل الدراسي للتلاميذ في المرحلة الإبتدائية .                    
3-البناء المدرسي ومرافقه يؤثر على التحصيل الدراسي لتلاميذ المرحلة الإبتدائية .
التوصيات :
1-على الإدارة المدرسية الإهتمام بالبئية المدرسية بشقيها البشري والمادي لان ذلك يساعد في التحصيل الدراسي      للتلاميذ .